5-methyl-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

C14H11N5O — CID 46934730

IUPAC5-methyl-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESCc1cc2n[nH]c(=O)n2c2cc(-c3cn[nH]c3)ccc12
InChIInChI=1S/C14H11N5O/c1-8-4-13-17-18-14(20)19(13)12-5-9(2-3-11(8)12)10-6-15-16-7-10/h2-7H,1H3,(H,15,16)(H,18,20)
InChIKeyGFYGOPHFJJDPOL-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.87
Rot. Bonds1

About 5-methyl-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

5-methyl-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (PubChem CID 46934730) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 5-methyl-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.

Molecular Properties

Compound Name5-methyl-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
PubChem CID46934730
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name5-methyl-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESCc1cc2n[nH]c(=O)n2c2cc(-c3cn[nH]c3)ccc12
InChIInChI=1S/C14H11N5O/c1-8-4-13-17-18-14(20)19(13)12-5-9(2-3-11(8)12)10-6-15-16-7-10/h2-7H,1H3,(H,15,16)(H,18,20)
InChIKeyGFYGOPHFJJDPOL-UHFFFAOYSA-N
XLogP1.87
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-8-(1H-pyrazol-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-methyl-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The IUPAC name of 5-methyl-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (CID 46934730) is 5-methyl-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.
What is the SMILES notation for 5-methyl-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The canonical SMILES for 5-methyl-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is Cc1cc2n[nH]c(=O)n2c2cc(-c3cn[nH]c3)ccc12.
What is the InChIKey of 5-methyl-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The InChIKey is GFYGOPHFJJDPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c1-8-4-13-17-18-14(20)19(13)12-5-9(2-3-11(8)12)10-6-15-16-7-10/h2-7H,1H3,(H,15,16)(H,18,20).
What are the key properties of 5-methyl-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
5-methyl-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one has a molecular weight of 265.28 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is sourced from PubChem (CID 46934730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).