5-amino-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

C15H11N5O — CID 69455865

IUPAC5-amino-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESNc1cc2n[nH]c(=O)n2c2cc(-c3ccncc3)ccc12
InChIInChI=1S/C15H11N5O/c16-12-8-14-18-19-15(21)20(14)13-7-10(1-2-11(12)13)9-3-5-17-6-4-9/h1-8H,16H2,(H,19,21)
InChIKeyDRSUHHSFIREJGT-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.82
Rot. Bonds1

About 5-amino-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

5-amino-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (PubChem CID 69455865) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is 5-amino-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.

Molecular Properties

Compound Name5-amino-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
PubChem CID69455865
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC Name5-amino-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESNc1cc2n[nH]c(=O)n2c2cc(-c3ccncc3)ccc12
InChIInChI=1S/C15H11N5O/c16-12-8-14-18-19-15(21)20(14)13-7-10(1-2-11(12)13)9-3-5-17-6-4-9/h1-8H,16H2,(H,19,21)
InChIKeyDRSUHHSFIREJGT-UHFFFAOYSA-N
XLogP1.82
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-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 5-amino-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The IUPAC name of 5-amino-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (CID 69455865) is 5-amino-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.
What is the SMILES notation for 5-amino-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The canonical SMILES for 5-amino-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is Nc1cc2n[nH]c(=O)n2c2cc(-c3ccncc3)ccc12.
What is the InChIKey of 5-amino-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The InChIKey is DRSUHHSFIREJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c16-12-8-14-18-19-15(21)20(14)13-7-10(1-2-11(12)13)9-3-5-17-6-4-9/h1-8H,16H2,(H,19,21).
What are the key properties of 5-amino-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
5-amino-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one has a molecular weight of 277.29 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-8-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is sourced from PubChem (CID 69455865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).