3-methylpyrido[4,3-d]pyrimidin-4-one

C8H7N3O — CID 59514464

IUPAC3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2ccncc2c1=O
InChIInChI=1S/C8H7N3O/c1-11-5-10-7-2-3-9-4-6(7)8(11)12/h2-5H,1H3
InChIKeyNESBBWNRIAIMJQ-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.33
Rot. Bonds

About 3-methylpyrido[4,3-d]pyrimidin-4-one

3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 59514464) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID59514464
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2ccncc2c1=O
InChIInChI=1S/C8H7N3O/c1-11-5-10-7-2-3-9-4-6(7)8(11)12/h2-5H,1H3
InChIKeyNESBBWNRIAIMJQ-UHFFFAOYSA-N
XLogP0.33
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methylpyrido[4,3-d]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-methylpyrido[4,3-d]pyrimidin-4-one (CID 59514464) is 3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-methylpyrido[4,3-d]pyrimidin-4-one is Cn1cnc2ccncc2c1=O.
What is the InChIKey of 3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is NESBBWNRIAIMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-11-5-10-7-2-3-9-4-6(7)8(11)12/h2-5H,1H3.
What are the key properties of 3-methylpyrido[4,3-d]pyrimidin-4-one?
3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 161.16 g/mol, XLogP of 0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 59514464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).