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

C10H10N4O — CID 135783237

IUPAC3-(2-aminophenyl)-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(-c2ccccc2N)[nH]c1=O
InChIInChI=1S/C10H10N4O/c1-6-10(15)12-9(14-13-6)7-4-2-3-5-8(7)11/h2-5H,11H2,1H3,(H,12,14,15)
InChIKeyGHPKGKUELOGSIW-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.72
Rot. Bonds1

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

3-(2-aminophenyl)-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135783237) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 3-(2-aminophenyl)-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(2-aminophenyl)-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135783237
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name3-(2-aminophenyl)-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(-c2ccccc2N)[nH]c1=O
InChIInChI=1S/C10H10N4O/c1-6-10(15)12-9(14-13-6)7-4-2-3-5-8(7)11/h2-5H,11H2,1H3,(H,12,14,15)
InChIKeyGHPKGKUELOGSIW-UHFFFAOYSA-N
XLogP0.72
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-3-phenyl-1,2,4-triazin-5-ol
CID 135472887
2-(N'-hydroxycarbamimidoyl)-N-(2-methylphenyl)acetamide
CID 7363982
6-methyl-3-[(2-methylphenyl)amino]-1,2,4-triazin-5(4H)-one
CID 135412275
2-(5-Hydroxy-6-methyl-[1,2,4]triazin-3-ylsulfanyl)-N-o-tolyl-acetamide
CID 135437943
(3Z)-3-amino-N-(2-ethylphenyl)-3-hydroxyiminopropanamide
CID 43156118
3-((Amino(imino)methyl)hydrazono)-N-(2,4-dimethylphenyl)butanamide
CID 9571299
3-Methyl-6-phenyl-[1,2,4]triazino[2,3-c]quinazolin-2-one
CID 25571655
6-(2-Aminophenyl)-3-(methylsulfanyl)-1,2,4-triazin-5-ol
CID 135407499
2-(3-Aminophenyl)-6-methyl-3,4-dihydropyrimidin-4-one
CID 135629495
2-(3-Aminophenyl)-6-ethyl-3,4-dihydropyrimidin-4-one
CID 135926899
2-(4-Aminophenyl)-6-methyl-3,4-dihydropyrimidin-4-one
CID 135984482
3-(2-aminophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one
CID 136134314

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(2-aminophenyl)-6-methyl-4H-1,2,4-triazin-5-one (CID 135783237) is 3-(2-aminophenyl)-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(2-aminophenyl)-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(2-aminophenyl)-6-methyl-4H-1,2,4-triazin-5-one is Cc1nnc(-c2ccccc2N)[nH]c1=O.
What is the InChIKey of 3-(2-aminophenyl)-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is GHPKGKUELOGSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-6-10(15)12-9(14-13-6)7-4-2-3-5-8(7)11/h2-5H,11H2,1H3,(H,12,14,15).
What are the key properties of 3-(2-aminophenyl)-6-methyl-4H-1,2,4-triazin-5-one?
3-(2-aminophenyl)-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 202.22 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135783237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).