2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

C15H10N4O — CID 135465884

IUPAC2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2ccccc2c2nc(-c3ccccc3)nn12
InChIInChI=1S/C15H10N4O/c20-15-16-12-9-5-4-8-11(12)14-17-13(18-19(14)15)10-6-2-1-3-7-10/h1-9H,(H,16,20)
InChIKeyAXPGZURVLRWNBR-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.24
Rot. Bonds1

About 2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (PubChem CID 135465884) has the molecular formula C15H10N4O and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
PubChem CID135465884
Molecular FormulaC15H10N4O
Molecular Weight262.27 g/mol
Exact Mass262.09
IUPAC Name2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2ccccc2c2nc(-c3ccccc3)nn12
InChIInChI=1S/C15H10N4O/c20-15-16-12-9-5-4-8-11(12)14-17-13(18-19(14)15)10-6-2-1-3-7-10/h1-9H,(H,16,20)
InChIKeyAXPGZURVLRWNBR-UHFFFAOYSA-N
XLogP2.24
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5H,6H-(1,2,4)triazolo(1,5-c)quinazolin-5-one
CID 135463200
9-Chloro-2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-ol
CID 135736240
2-(2-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135736247
6-Methyl-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 14031879
2-(4-methylphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135416471
2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135736242
7,9-dichloro-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5(6H)one
CID 135736246
9-chloro-2-(3-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135736249
9-Chloro-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5(3H)-one
CID 135778278
2-(Pyridin-4-yl)1,2,4-triazolo[1,5-c]quinazolin-5(6H)-one
CID 135799513
2-Benzyl-9-chloro-[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one
CID 135976288
9-chloro-2-(4-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 136035280

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (CID 135465884) is 2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is O=c1[nH]c2ccccc2c2nc(-c3ccccc3)nn12.
What is the InChIKey of 2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The InChIKey is AXPGZURVLRWNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O/c20-15-16-12-9-5-4-8-11(12)14-17-13(18-19(14)15)10-6-2-1-3-7-10/h1-9H,(H,16,20).
What are the key properties of 2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one has a molecular weight of 262.27 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 135465884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).