5-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline

C16H12N4 — CID 882138

IUPAC5-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline
SMILESCc1cccc(-c2nc3ccccc3c3nncn23)c1
InChIInChI=1S/C16H12N4/c1-11-5-4-6-12(9-11)15-18-14-8-3-2-7-13(14)16-19-17-10-20(15)16/h2-10H,1H3
InChIKeyANPRQTUWZVQDEU-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.25
Rot. Bonds1

About 5-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline

5-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline (PubChem CID 882138) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline.

Molecular Properties

Compound Name5-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline
PubChem CID882138
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name5-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline
SMILESCc1cccc(-c2nc3ccccc3c3nncn23)c1
InChIInChI=1S/C16H12N4/c1-11-5-4-6-12(9-11)15-18-14-8-3-2-7-13(14)16-19-17-10-20(15)16/h2-10H,1H3
InChIKeyANPRQTUWZVQDEU-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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline?
The IUPAC name of 5-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline (CID 882138) is 5-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline.
What is the SMILES notation for 5-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline?
The canonical SMILES for 5-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline is Cc1cccc(-c2nc3ccccc3c3nncn23)c1.
What is the InChIKey of 5-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline?
The InChIKey is ANPRQTUWZVQDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-11-5-4-6-12(9-11)15-18-14-8-3-2-7-13(14)16-19-17-10-20(15)16/h2-10H,1H3.
What are the key properties of 5-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline?
5-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]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 5-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline is sourced from PubChem (CID 882138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).