9-chloro-2-(4-hydroxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

C15H9ClN4O2 — CID 135736241

IUPAC9-chloro-2-(4-hydroxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2ccc(Cl)cc2c2nc(-c3ccc(O)cc3)nn12
InChIInChI=1S/C15H9ClN4O2/c16-9-3-6-12-11(7-9)14-18-13(19-20(14)15(22)17-12)8-1-4-10(21)5-2-8/h1-7,21H,(H,17,22)
InChIKeyBMLUHPSCJSEBBI-UHFFFAOYSA-N
MW312.72 g/mol
LogP2.60
Rot. Bonds1

About 9-chloro-2-(4-hydroxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

9-chloro-2-(4-hydroxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (PubChem CID 135736241) has the molecular formula C15H9ClN4O2 and a molecular weight of 312.72 g/mol. Its IUPAC name is 9-chloro-2-(4-hydroxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name9-chloro-2-(4-hydroxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
PubChem CID135736241
Molecular FormulaC15H9ClN4O2
Molecular Weight312.72 g/mol
Exact Mass312.04
IUPAC Name9-chloro-2-(4-hydroxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2ccc(Cl)cc2c2nc(-c3ccc(O)cc3)nn12
InChIInChI=1S/C15H9ClN4O2/c16-9-3-6-12-11(7-9)14-18-13(19-20(14)15(22)17-12)8-1-4-10(21)5-2-8/h1-7,21H,(H,17,22)
InChIKeyBMLUHPSCJSEBBI-UHFFFAOYSA-N
XLogP2.60
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.72
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 9-chloro-2-(4-hydroxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-Chloro-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5(3H)-one
CID 135778278
9-chloro-2-(4-methoxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 136035281
8-chloro-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
CID 135518190
2-(4-methoxyphenyl)-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135495513
2-(2-fluorophenyl)-9-hydroxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135976804
2-[5-chloro-2-(trifluoromethoxy)phenyl]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 156074580
2-(4-hydroxyphenyl)-8-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 156637169
4-[[6-(4-Chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 16737905
8-hydroxy-2-(hydroxymethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135823852
9-chloro-2-(3,4-dimethoxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 136353911
2-(4-hydroxyphenyl)-5-oxo-6H-[1,2,4]triazolo[1,5-c]quinazoline-10-carbonitrile
CID 156074329
7-chloro-2-(4-methoxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 156074654

Frequently Asked Questions

What is the IUPAC name of 9-chloro-2-(4-hydroxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 9-chloro-2-(4-hydroxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (CID 135736241) is 9-chloro-2-(4-hydroxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 9-chloro-2-(4-hydroxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 9-chloro-2-(4-hydroxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is O=c1[nH]c2ccc(Cl)cc2c2nc(-c3ccc(O)cc3)nn12.
What is the InChIKey of 9-chloro-2-(4-hydroxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The InChIKey is BMLUHPSCJSEBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4O2/c16-9-3-6-12-11(7-9)14-18-13(19-20(14)15(22)17-12)8-1-4-10(21)5-2-8/h1-7,21H,(H,17,22).
What are the key properties of 9-chloro-2-(4-hydroxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
9-chloro-2-(4-hydroxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one has a molecular weight of 312.72 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2-(4-hydroxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 135736241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).