7,9-dichloro-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

C15H8Cl2N4O — CID 135736246

IUPAC7,9-dichloro-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2c(Cl)cc(Cl)cc2c2nc(-c3ccccc3)nn12
InChIInChI=1S/C15H8Cl2N4O/c16-9-6-10-12(11(17)7-9)18-15(22)21-14(10)19-13(20-21)8-4-2-1-3-5-8/h1-7H,(H,18,22)
InChIKeyLHOMBPYUYAHXIV-UHFFFAOYSA-N
MW331.16 g/mol
LogP3.54
Rot. Bonds1

About 7,9-dichloro-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

7,9-dichloro-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (PubChem CID 135736246) has the molecular formula C15H8Cl2N4O and a molecular weight of 331.16 g/mol. Its IUPAC name is 7,9-dichloro-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name7,9-dichloro-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
PubChem CID135736246
Molecular FormulaC15H8Cl2N4O
Molecular Weight331.16 g/mol
Exact Mass330.01
IUPAC Name7,9-dichloro-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2c(Cl)cc(Cl)cc2c2nc(-c3ccccc3)nn12
InChIInChI=1S/C15H8Cl2N4O/c16-9-6-10-12(11(17)7-9)18-15(22)21-14(10)19-13(20-21)8-4-2-1-3-5-8/h1-7H,(H,18,22)
InChIKeyLHOMBPYUYAHXIV-UHFFFAOYSA-N
XLogP3.54
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135465884
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
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-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
9-chloro-2-(4-methylphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 136035279
9-Chloro-[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one
CID 135976272
9-chloro-2-[4-(trifluoromethyl)phenyl]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 136035266
9-chloro-2-(1-methylpiperidin-3-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 136035267
2-(4-Chlorophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one
CID 135458592

Frequently Asked Questions

What is the IUPAC name of 7,9-dichloro-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 7,9-dichloro-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (CID 135736246) is 7,9-dichloro-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 7,9-dichloro-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 7,9-dichloro-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is O=c1[nH]c2c(Cl)cc(Cl)cc2c2nc(-c3ccccc3)nn12.
What is the InChIKey of 7,9-dichloro-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The InChIKey is LHOMBPYUYAHXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N4O/c16-9-6-10-12(11(17)7-9)18-15(22)21-14(10)19-13(20-21)8-4-2-1-3-5-8/h1-7H,(H,18,22).
What are the key properties of 7,9-dichloro-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
7,9-dichloro-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one has a molecular weight of 331.16 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dichloro-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 135736246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).