7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline

C15H9ClN4 — CID 1089054

IUPAC7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline
SMILESClc1ccc2c(c1)c(-c1ccccc1)nc1nncn12
InChIInChI=1S/C15H9ClN4/c16-11-6-7-13-12(8-11)14(10-4-2-1-3-5-10)18-15-19-17-9-20(13)15/h1-9H
InChIKeyAZYMQVCFYRJMJU-UHFFFAOYSA-N
MW280.72 g/mol
LogP3.60
Rot. Bonds1

About 7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline

7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline (PubChem CID 1089054) has the molecular formula C15H9ClN4 and a molecular weight of 280.72 g/mol. Its IUPAC name is 7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline.

Molecular Properties

Compound Name7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline
PubChem CID1089054
Molecular FormulaC15H9ClN4
Molecular Weight280.72 g/mol
Exact Mass280.05
IUPAC Name7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline
SMILESClc1ccc2c(c1)c(-c1ccccc1)nc1nncn12
InChIInChI=1S/C15H9ClN4/c16-11-6-7-13-12(8-11)14(10-4-2-1-3-5-10)18-15-19-17-9-20(13)15/h1-9H
InChIKeyAZYMQVCFYRJMJU-UHFFFAOYSA-N
XLogP3.60
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline 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 7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline?
The IUPAC name of 7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline (CID 1089054) is 7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline.
What is the SMILES notation for 7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline?
The canonical SMILES for 7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline is Clc1ccc2c(c1)c(-c1ccccc1)nc1nncn12.
What is the InChIKey of 7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline?
The InChIKey is AZYMQVCFYRJMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4/c16-11-6-7-13-12(8-11)14(10-4-2-1-3-5-10)18-15-19-17-9-20(13)15/h1-9H.
What are the key properties of 7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline?
7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline has a molecular weight of 280.72 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline is sourced from PubChem (CID 1089054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).