5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline

C15H10N4 — CID 645307

IUPAC5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline
SMILESc1ccc(-c2nc3ccccc3c3nncn23)cc1
InChIInChI=1S/C15H10N4/c1-2-6-11(7-3-1)14-17-13-9-5-4-8-12(13)15-18-16-10-19(14)15/h1-10H
InChIKeyJXNCKUNFELPBJQ-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.94
Rot. Bonds1

About 5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline

5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline (PubChem CID 645307) has the molecular formula C15H10N4 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline.

Molecular Properties

Compound Name5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline
PubChem CID645307
Molecular FormulaC15H10N4
Molecular Weight246.27 g/mol
Exact Mass246.09
IUPAC Name5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline
SMILESc1ccc(-c2nc3ccccc3c3nncn23)cc1
InChIInChI=1S/C15H10N4/c1-2-6-11(7-3-1)14-17-13-9-5-4-8-12(13)15-18-16-10-19(14)15/h1-10H
InChIKeyJXNCKUNFELPBJQ-UHFFFAOYSA-N
XLogP2.94
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline?
The IUPAC name of 5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline (CID 645307) is 5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline.
What is the SMILES notation for 5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline?
The canonical SMILES for 5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline is c1ccc(-c2nc3ccccc3c3nncn23)cc1.
What is the InChIKey of 5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline?
The InChIKey is JXNCKUNFELPBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4/c1-2-6-11(7-3-1)14-17-13-9-5-4-8-12(13)15-18-16-10-19(14)15/h1-10H.
What are the key properties of 5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline?
5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline has a molecular weight of 246.27 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline is sourced from PubChem (CID 645307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).