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6-methyl-2H-1,2,4-triazin-5-one - 97%, high purity , CAS No.16120-00-6

COA

Grade & Purity:

≥97%

Cas Number: 16120-00-6
Molecular Weight: 111.1
EC Number: 696-603-7
MDL number: MFCD11108305
PubChem CID: 135464495

In stock

Item Number

M629825

Grouped product items
SKU	Size	Availability	Price
M629825-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$249.90
M629825-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$991.90
M629825-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,981.90

Basic Description

Synonyms	AKOS040694839 \| SCHEMBL11388476 \| 1,2,4-Triazin-5(4H)-one, 6-methyl- \| 6-methyl-4H-1,2,4-triazin-5-one \| SCHEMBL21891497 \| 6-methyl-2H-1,2,4-triazin-5-one \| SB73526 \| 6-METHYL-2,5-DIHYDRO-1,2,4-TRIAZIN-5-ONE \| CS-0258873 \| SS-4457 \| A911355 \| AKOS00630952
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Triazines
    - Subclass 1,2,4-triazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Triazines
Subclass	1,2,4-triazines
Intermediate Tree Nodes	Not available
Direct Parent	1,2,4-triazines
Alternative Parents	Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1,2,4-triazine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1,2,4-triazines. These are compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms, at ring positions 1, 2, and 4.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	6-methyl-4H-1,2,4-triazin-5-one
INCHI	InChI=1S/C4H5N3O/c1-3-4(8)5-2-6-7-3/h2H,1H3,(H,5,6,8)
InChIKey	PDWZJMKDSKSWMD-UHFFFAOYSA-N
Smiles	CC1=NN=CNC1=O
Isomeric SMILES	CC1=NN=CNC1=O
Alternate CAS	16120-00-6
PubChem CID	135464495
Molecular Weight	111.1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	111.100 g/mol
XLogP3	-0.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	111.043 Da
Monoisotopic Mass	111.043 Da
Topological Polar Surface Area	53.800 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	170.000
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

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