2,4-diphenyl-1,5-bis(1,2,4-triazol-1-yl)pentan-3-one

C21H20N6O — CID 174783039

IUPAC2,4-diphenyl-1,5-bis(1,2,4-triazol-1-yl)pentan-3-one
SMILESO=C(C(Cn1cncn1)c1ccccc1)C(Cn1cncn1)c1ccccc1
InChIInChI=1S/C21H20N6O/c28-21(19(11-26-15-22-13-24-26)17-7-3-1-4-8-17)20(12-27-16-23-14-25-27)18-9-5-2-6-10-18/h1-10,13-16,19-20H,11-12H2
InChIKeyLKZFLRPHBFESSG-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.71
Rot. Bonds8

About 2,4-diphenyl-1,5-bis(1,2,4-triazol-1-yl)pentan-3-one

2,4-diphenyl-1,5-bis(1,2,4-triazol-1-yl)pentan-3-one (PubChem CID 174783039) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 2,4-diphenyl-1,5-bis(1,2,4-triazol-1-yl)pentan-3-one.

Molecular Properties

Compound Name2,4-diphenyl-1,5-bis(1,2,4-triazol-1-yl)pentan-3-one
PubChem CID174783039
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name2,4-diphenyl-1,5-bis(1,2,4-triazol-1-yl)pentan-3-one
SMILESO=C(C(Cn1cncn1)c1ccccc1)C(Cn1cncn1)c1ccccc1
InChIInChI=1S/C21H20N6O/c28-21(19(11-26-15-22-13-24-26)17-7-3-1-4-8-17)20(12-27-16-23-14-25-27)18-9-5-2-6-10-18/h1-10,13-16,19-20H,11-12H2
InChIKeyLKZFLRPHBFESSG-UHFFFAOYSA-N
XLogP2.71
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,4-diphenyl-1,5-bis(1,2,4-triazol-1-yl)pentan-3-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

2-phenyl-3-(1,2,4-triazol-1-yl)propanoic acid
CID 63073894
4-hydroxy-3-phenyl-1-(1,2,4-triazol-1-yl)butan-2-one
CID 10977307
(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol
CID 51669163
2-phenyl-4-(1,2,4-triazol-1-yl)butanoate
CID 19095984
(2R)-2-phenyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]propanamide
CID 99855935
[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl] 2-phenylacetate;hydrochloride
CID 134693458
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 91775636
(2R,3S)-1,3-diphenyl-3-phenylsulfanyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-one
CID 983738
1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 19849797
1-fluoro-1,2-diphenyl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 150440123
methyl 2-phenyl-3-pyrazol-1-ylpropanoate
CID 64567255
6-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]carbamoyl]pyridine-2-carboxylic acid
CID 146128301

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-1,5-bis(1,2,4-triazol-1-yl)pentan-3-one?
The IUPAC name of 2,4-diphenyl-1,5-bis(1,2,4-triazol-1-yl)pentan-3-one (CID 174783039) is 2,4-diphenyl-1,5-bis(1,2,4-triazol-1-yl)pentan-3-one.
What is the SMILES notation for 2,4-diphenyl-1,5-bis(1,2,4-triazol-1-yl)pentan-3-one?
The canonical SMILES for 2,4-diphenyl-1,5-bis(1,2,4-triazol-1-yl)pentan-3-one is O=C(C(Cn1cncn1)c1ccccc1)C(Cn1cncn1)c1ccccc1.
What is the InChIKey of 2,4-diphenyl-1,5-bis(1,2,4-triazol-1-yl)pentan-3-one?
The InChIKey is LKZFLRPHBFESSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c28-21(19(11-26-15-22-13-24-26)17-7-3-1-4-8-17)20(12-27-16-23-14-25-27)18-9-5-2-6-10-18/h1-10,13-16,19-20H,11-12H2.
What are the key properties of 2,4-diphenyl-1,5-bis(1,2,4-triazol-1-yl)pentan-3-one?
2,4-diphenyl-1,5-bis(1,2,4-triazol-1-yl)pentan-3-one has a molecular weight of 372.43 g/mol, XLogP of 2.71, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-1,5-bis(1,2,4-triazol-1-yl)pentan-3-one is sourced from PubChem (CID 174783039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).