5-(4-chlorophenyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C17H11ClN4O — CID 155521916

IUPAC5-(4-chlorophenyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccc(Cl)cc2)nc2nc(-c3ccccc3)[nH]n12
InChIInChI=1S/C17H11ClN4O/c18-13-8-6-11(7-9-13)14-10-15(23)22-17(19-14)20-16(21-22)12-4-2-1-3-5-12/h1-10H,(H,19,20,21)
InChIKeyOMTOUHCRCYZMIE-UHFFFAOYSA-N
MW322.76 g/mol
LogP3.40
Rot. Bonds2

About 5-(4-chlorophenyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-(4-chlorophenyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 155521916) has the molecular formula C17H11ClN4O and a molecular weight of 322.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID155521916
Molecular FormulaC17H11ClN4O
Molecular Weight322.76 g/mol
Exact Mass322.06
IUPAC Name5-(4-chlorophenyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccc(Cl)cc2)nc2nc(-c3ccccc3)[nH]n12
InChIInChI=1S/C17H11ClN4O/c18-13-8-6-11(7-9-13)14-10-15(23)22-17(19-14)20-16(21-22)12-4-2-1-3-5-12/h1-10H,(H,19,20,21)
InChIKeyOMTOUHCRCYZMIE-UHFFFAOYSA-N
XLogP3.40
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-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

3-(4-chlorophenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 753151
2-(4-Chlorophenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7(1h)-one
CID 761950
2-(4-Chloro-phenyl)-5-propyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 793394
CID 5715096
CID 5715096
2,5-diphenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 661929
3-(4-chlorophenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 753150
2-(4-Chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-ol
CID 819028
5-(4-chlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 16457428
6-Benzyl-2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 2029494
3-(4-Chlorophenyl)-2-(trifluoromethyl)-5-(2,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 51357367
5-benzyl-2-[(4-chlorophenyl)methylamino]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 122190030
GABAA receptor agent 7
CID 155530070

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(4-chlorophenyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 155521916) is 5-(4-chlorophenyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(4-chlorophenyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(4-chlorophenyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2ccc(Cl)cc2)nc2nc(-c3ccccc3)[nH]n12.
What is the InChIKey of 5-(4-chlorophenyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is OMTOUHCRCYZMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O/c18-13-8-6-11(7-9-13)14-10-15(23)22-17(19-14)20-16(21-22)12-4-2-1-3-5-12/h1-10H,(H,19,20,21).
What are the key properties of 5-(4-chlorophenyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-(4-chlorophenyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 322.76 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 155521916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).