4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C15H10N4O — CID 2363388

IUPAC4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESO=c1c2ccccc2n2cnnc2n1-c1ccccc1
InChIInChI=1S/C15H10N4O/c20-14-12-8-4-5-9-13(12)18-10-16-17-15(18)19(14)11-6-2-1-3-7-11/h1-10H
InChIKeyABOYWWJAAQGMMT-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.03
Rot. Bonds1

About 4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 2363388) has the molecular formula C15H10N4O and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID2363388
Molecular FormulaC15H10N4O
Molecular Weight262.27 g/mol
Exact Mass262.09
IUPAC Name4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESO=c1c2ccccc2n2cnnc2n1-c1ccccc1
InChIInChI=1S/C15H10N4O/c20-14-12-8-4-5-9-13(12)18-10-16-17-15(18)19(14)11-6-2-1-3-7-11/h1-10H
InChIKeyABOYWWJAAQGMMT-UHFFFAOYSA-N
XLogP2.03
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 2363388) is 4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is O=c1c2ccccc2n2cnnc2n1-c1ccccc1.
What is the InChIKey of 4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is ABOYWWJAAQGMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O/c20-14-12-8-4-5-9-13(12)18-10-16-17-15(18)19(14)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 262.27 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 2363388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).