4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C16H12N4O — CID 2354700

IUPAC4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCc1ccccc1-n1c(=O)c2ccccc2n2cnnc12
InChIInChI=1S/C16H12N4O/c1-11-6-2-4-8-13(11)20-15(21)12-7-3-5-9-14(12)19-10-17-18-16(19)20/h2-10H,1H3
InChIKeyPGPCDIBJNJCRKO-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.34
Rot. Bonds1

About 4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 2354700) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID2354700
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCc1ccccc1-n1c(=O)c2ccccc2n2cnnc12
InChIInChI=1S/C16H12N4O/c1-11-6-2-4-8-13(11)20-15(21)12-7-3-5-9-14(12)19-10-17-18-16(19)20/h2-10H,1H3
InChIKeyPGPCDIBJNJCRKO-UHFFFAOYSA-N
XLogP2.34
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 2354700) is 4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one is Cc1ccccc1-n1c(=O)c2ccccc2n2cnnc12.
What is the InChIKey of 4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is PGPCDIBJNJCRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-11-6-2-4-8-13(11)20-15(21)12-7-3-5-9-14(12)19-10-17-18-16(19)20/h2-10H,1H3.
What are the key properties of 4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 276.30 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 2354700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).