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

C16H12N4 — CID 1089055

IUPAC7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline
SMILESCc1ccc2c(c1)c(-c1ccccc1)nc1nncn12
InChIInChI=1S/C16H12N4/c1-11-7-8-14-13(9-11)15(12-5-3-2-4-6-12)18-16-19-17-10-20(14)16/h2-10H,1H3
InChIKeyCADLYSZRKPZQLB-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.25
Rot. Bonds1

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

7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline (PubChem CID 1089055) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline.

Molecular Properties

Compound Name7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline
PubChem CID1089055
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline
SMILESCc1ccc2c(c1)c(-c1ccccc1)nc1nncn12
InChIInChI=1S/C16H12N4/c1-11-7-8-14-13(9-11)15(12-5-3-2-4-6-12)18-16-19-17-10-20(14)16/h2-10H,1H3
InChIKeyCADLYSZRKPZQLB-UHFFFAOYSA-N
XLogP3.25
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-methyl-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-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline?
The IUPAC name of 7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline (CID 1089055) is 7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline.
What is the SMILES notation for 7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline?
The canonical SMILES for 7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline is Cc1ccc2c(c1)c(-c1ccccc1)nc1nncn12.
What is the InChIKey of 7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline?
The InChIKey is CADLYSZRKPZQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-11-7-8-14-13(9-11)15(12-5-3-2-4-6-12)18-16-19-17-10-20(14)16/h2-10H,1H3.
What are the key properties of 7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline?
7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline has a molecular weight of 260.30 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinazoline is sourced from PubChem (CID 1089055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).