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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Related Compounds

N,N-dimethyl-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 2429151
2-[(5-Oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 2493330
4-phenyltetrazolo[1,5-a]quinazolin-5(4H)-one
CID 650278
4H,5H-(1,2,4)triazolo(4,3-a)quinazolin-5-one
CID 135450456
1-[2-(3,4-Dihydro-2H-quinolin-1-yl)-2-oxo-ethylsulfanyl]-4-ethyl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 649447
4-(o-tolyl)tetrazolo[1,5-a]quinazolin-5(4H)-one
CID 654449
7-[(5-Oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2110751
2-[(5-Oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 2413312
1-Phenacylsulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 2493568
1-[[Benzyl(methyl)amino]methyl]-4-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 2568195
2-[(5-Oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]propanamide
CID 4820009
4-benzyl-1-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
CID 7125864

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).