4-methylpyrido[2,3-e][1,2,4]triazin-3-one

C7H6N4O — CID 59061424

IUPAC4-methylpyrido[2,3-e][1,2,4]triazin-3-one
SMILESCn1c(=O)nnc2cccnc21
InChIInChI=1S/C7H6N4O/c1-11-6-5(3-2-4-8-6)9-10-7(11)12/h2-4H,1H3
InChIKeyPPGHGADRRMHWRK-UHFFFAOYSA-N
MW162.15 g/mol
LogP-0.28
Rot. Bonds

About 4-methylpyrido[2,3-e][1,2,4]triazin-3-one

4-methylpyrido[2,3-e][1,2,4]triazin-3-one (PubChem CID 59061424) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 4-methylpyrido[2,3-e][1,2,4]triazin-3-one.

Molecular Properties

Compound Name4-methylpyrido[2,3-e][1,2,4]triazin-3-one
PubChem CID59061424
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name4-methylpyrido[2,3-e][1,2,4]triazin-3-one
SMILESCn1c(=O)nnc2cccnc21
InChIInChI=1S/C7H6N4O/c1-11-6-5(3-2-4-8-6)9-10-7(11)12/h2-4H,1H3
InChIKeyPPGHGADRRMHWRK-UHFFFAOYSA-N
XLogP-0.28
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methylpyrido[2,3-e][1,2,4]triazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethylpyrido[2,3-b]pyrazin-3-one;ethane
CID 90706892
2-methoxy-4-methylpyrido[2,3-b]pyrazin-3-one
CID 90362861
4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carbaldehyde
CID 86730915
2-hydrazinyl-4-methylpyrido[2,3-b]pyrazin-3-one
CID 71786184
acetaldehyde;2,3-dimethylimidazo[4,5-b]pyridine
CID 144894477
2-methoxy-3-methylimidazo[4,5-b]pyridine
CID 58577407
2-(fluoromethyl)-3-methylimidazo[4,5-b]pyridine
CID 141030581
1,2-dimethylpyrrolo[2,3-b]pyridin-3-amine
CID 82415409
1-methyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 146615670
4-hydroxy-1,3-dimethyl-1,8-naphthyridin-2-one
CID 54702806
triazolo[4,5-b]pyridin-3-yl acetate
CID 18737155
2,3-dimethyl-3-(3-methylimidazo[4,5-b]pyridin-2-yl)butan-2-amine
CID 65261518

Frequently Asked Questions

What is the IUPAC name of 4-methylpyrido[2,3-e][1,2,4]triazin-3-one?
The IUPAC name of 4-methylpyrido[2,3-e][1,2,4]triazin-3-one (CID 59061424) is 4-methylpyrido[2,3-e][1,2,4]triazin-3-one.
What is the SMILES notation for 4-methylpyrido[2,3-e][1,2,4]triazin-3-one?
The canonical SMILES for 4-methylpyrido[2,3-e][1,2,4]triazin-3-one is Cn1c(=O)nnc2cccnc21.
What is the InChIKey of 4-methylpyrido[2,3-e][1,2,4]triazin-3-one?
The InChIKey is PPGHGADRRMHWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c1-11-6-5(3-2-4-8-6)9-10-7(11)12/h2-4H,1H3.
What are the key properties of 4-methylpyrido[2,3-e][1,2,4]triazin-3-one?
4-methylpyrido[2,3-e][1,2,4]triazin-3-one has a molecular weight of 162.15 g/mol, XLogP of -0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpyrido[2,3-e][1,2,4]triazin-3-one is sourced from PubChem (CID 59061424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).