6-methyl-3-(pyridin-2-ylmethyldiazenyl)-4H-1,2,4-triazin-5-one

C10H10N6O — CID 136634911

IUPAC6-methyl-3-(pyridin-2-ylmethyldiazenyl)-4H-1,2,4-triazin-5-one
SMILESCc1nnc(/N=N/Cc2ccccn2)[nH]c1=O
InChIInChI=1S/C10H10N6O/c1-7-9(17)13-10(16-14-7)15-12-6-8-4-2-3-5-11-8/h2-5H,6H2,1H3,(H,13,16,17)/b15-12+
InChIKeyRVEPOIXYFYRBHH-NTCAYCPXSA-N
MW230.23 g/mol
LogP1.15
Rot. Bonds3

About 6-methyl-3-(pyridin-2-ylmethyldiazenyl)-4H-1,2,4-triazin-5-one

6-methyl-3-(pyridin-2-ylmethyldiazenyl)-4H-1,2,4-triazin-5-one (PubChem CID 136634911) has the molecular formula C10H10N6O and a molecular weight of 230.23 g/mol. Its IUPAC name is 6-methyl-3-(pyridin-2-ylmethyldiazenyl)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-(pyridin-2-ylmethyldiazenyl)-4H-1,2,4-triazin-5-one
PubChem CID136634911
Molecular FormulaC10H10N6O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name6-methyl-3-(pyridin-2-ylmethyldiazenyl)-4H-1,2,4-triazin-5-one
SMILESCc1nnc(/N=N/Cc2ccccn2)[nH]c1=O
InChIInChI=1S/C10H10N6O/c1-7-9(17)13-10(16-14-7)15-12-6-8-4-2-3-5-11-8/h2-5H,6H2,1H3,(H,13,16,17)/b15-12+
InChIKeyRVEPOIXYFYRBHH-NTCAYCPXSA-N
XLogP1.15
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-[[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)diazenyl]methyl]benzoic acid
CID 137161500
phenyl(pyridin-2-ylmethyl)diazene
CID 54008576
(4-methylsulfonylphenyl)-(pyridin-2-ylmethyl)diazene
CID 91363696
(6-iodo-7-methylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)diazene
CID 91472470
2-(pyridin-2-ylmethyl)guanidine;sulfuric acid
CID 13371455
N,N-dimethyl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)methanimidamide
CID 135789116
N,4-dimethyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
CID 171327483
N'-(pyridin-2-ylmethyl)pyridine-2-carboximidamide
CID 528154
(2-morpholin-4-ylphenyl)-(pyridin-2-ylmethyl)diazene
CID 91611614
ethane;pyridin-2-ylmethanamine
CID 90791011
2-ethylpyridine;sulfane
CID 67363352
ethane;2-ethylpyridine
CID 91102000

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(pyridin-2-ylmethyldiazenyl)-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-(pyridin-2-ylmethyldiazenyl)-4H-1,2,4-triazin-5-one (CID 136634911) is 6-methyl-3-(pyridin-2-ylmethyldiazenyl)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-(pyridin-2-ylmethyldiazenyl)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-(pyridin-2-ylmethyldiazenyl)-4H-1,2,4-triazin-5-one is Cc1nnc(/N=N/Cc2ccccn2)[nH]c1=O.
What is the InChIKey of 6-methyl-3-(pyridin-2-ylmethyldiazenyl)-4H-1,2,4-triazin-5-one?
The InChIKey is RVEPOIXYFYRBHH-NTCAYCPXSA-N. The full InChI is InChI=1S/C10H10N6O/c1-7-9(17)13-10(16-14-7)15-12-6-8-4-2-3-5-11-8/h2-5H,6H2,1H3,(H,13,16,17)/b15-12+.
What are the key properties of 6-methyl-3-(pyridin-2-ylmethyldiazenyl)-4H-1,2,4-triazin-5-one?
6-methyl-3-(pyridin-2-ylmethyldiazenyl)-4H-1,2,4-triazin-5-one has a molecular weight of 230.23 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(pyridin-2-ylmethyldiazenyl)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 136634911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).