6-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

C6H6N4O — CID 63750147

IUPAC6-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNc1ccc2n[nH]c(=O)n2c1
InChIInChI=1S/C6H6N4O/c7-4-1-2-5-8-9-6(11)10(5)3-4/h1-3H,7H2,(H,9,11)
InChIKeyKVUWEJSMNWCOHM-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.40
Rot. Bonds

About 6-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

6-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 63750147) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 6-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name6-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID63750147
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name6-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNc1ccc2n[nH]c(=O)n2c1
InChIInChI=1S/C6H6N4O/c7-4-1-2-5-8-9-6(11)10(5)3-4/h1-3H,7H2,(H,9,11)
InChIKeyKVUWEJSMNWCOHM-UHFFFAOYSA-N
XLogP-0.40
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-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

Frequently Asked Questions

What is the IUPAC name of 6-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 6-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 63750147) is 6-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 6-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 6-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is Nc1ccc2n[nH]c(=O)n2c1.
What is the InChIKey of 6-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is KVUWEJSMNWCOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c7-4-1-2-5-8-9-6(11)10(5)3-4/h1-3H,7H2,(H,9,11).
What are the key properties of 6-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
6-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 150.14 g/mol, XLogP of -0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 63750147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).