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2-(3-methyl-1H-1,2,4-triazol-5-yl)acetonitrile - ≥98%, high purity , CAS No.86999-26-0

    Grade & Purity:
  • ≥98%
In stock
Item Number
A697599
Grouped product items
SKU Size
Availability
Price Qty
A697599-100mg
100mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$536.90
A697599-250mg
250mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$753.90
A697599-1g
1g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,333.90

Basic Description

Specifications & Purity ≥98%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Azoles
Subclass Triazoles
Intermediate Tree Nodes Not available
Direct Parent Triazoles
Alternative Parents Heteroaromatic compounds  Nitriles  Azacyclic compounds  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Heteroaromatic compound - 1,2,4-triazole - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as triazoles. These are compounds containing a five-member aromatic ring of two carbon atoms and three nitrogen atoms.
External Descriptors Not available

Associated Targets(Human)

ACHN (49357 Activities)
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CCRF-CEM (65223 Activities)
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COLO 205 (50209 Activities)
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DU-145 (51482 Activities)
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HT-29 (80576 Activities)
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K562 (73714 Activities)
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KM12 (47707 Activities)
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M14 (47487 Activities)
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MCF7 (126967 Activities)
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MOLT-4 (49676 Activities)
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OVCAR-3 (48710 Activities)
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OVCAR-4 (44535 Activities)
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OVCAR-5 (45555 Activities)
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OVCAR-8 (47708 Activities)
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PC-3 (62116 Activities)
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RPMI-8226 (44974 Activities)
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RXF 393 (41971 Activities)
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SF-295 (48000 Activities)
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SK-MEL-2 (46422 Activities)
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SK-MEL-5 (47095 Activities)
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SK-OV-3 (52876 Activities)
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SN12C (47755 Activities)
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SNB-19 (46794 Activities)
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TK-10 (45540 Activities)
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U-251 (51189 Activities)
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UACC-257 (46019 Activities)
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UACC-62 (47335 Activities)
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UO-31 (46270 Activities)
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786-0 (47912 Activities)
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A549 (127892 Activities)
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NCI/ADR-RES (33767 Activities)
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EKVX (44102 Activities)
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NCI-H322M (45589 Activities)
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HCC 2998 (41480 Activities)
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HCT-116 (91556 Activities)
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HOP-92 (41141 Activities)
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SF-268 (49410 Activities)
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IGROV-1 (47897 Activities)
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LOX IMVI (44321 Activities)
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HOP-62 (47048 Activities)
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MDA-MB-435 (38290 Activities)
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MDA-N (28205 Activities)
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MDA-MB-231 (73002 Activities)
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SNB-75 (44215 Activities)
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NCI-H23 (49055 Activities)
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NCI-H522 (44358 Activities)
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BT-549 (31254 Activities)
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SF-539 (44845 Activities)
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SR (39847 Activities)
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SW-620 (52400 Activities)
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Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetonitrile
INCHI InChI=1S/C5H6N4/c1-4-7-5(2-3-6)9-8-4/h2H2,1H3,(H,7,8,9)
InChIKey JPJXXDXAJJOQOX-UHFFFAOYSA-N
Smiles CC1=NC(=NN1)CC#N
Isomeric SMILES CC1=NC(=NN1)CC#N
Alternate CAS 86999-26-0
PubChem CID 390144
NSC Number 687212

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Molecular Weight 122.130 g/mol
XLogP3 0.100
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 122.059 Da
Monoisotopic Mass 122.059 Da
Topological Polar Surface Area 65.400 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 135.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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