5-benzyl-1-phenyl-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide

C25H24N4O — CID 42692840

IUPAC5-benzyl-1-phenyl-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1nc(Cc2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C25H24N4O/c30-25(26-18-10-15-20-11-4-1-5-12-20)24-27-23(19-21-13-6-2-7-14-21)29(28-24)22-16-8-3-9-17-22/h1-9,11-14,16-17H,10,15,18-19H2,(H,26,30)
InChIKeyBUPONSSGYSGCSW-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.22
Rot. Bonds8

About 5-benzyl-1-phenyl-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide

5-benzyl-1-phenyl-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide (PubChem CID 42692840) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 5-benzyl-1-phenyl-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-1-phenyl-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide
PubChem CID42692840
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name5-benzyl-1-phenyl-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1nc(Cc2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C25H24N4O/c30-25(26-18-10-15-20-11-4-1-5-12-20)24-27-23(19-21-13-6-2-7-14-21)29(28-24)22-16-8-3-9-17-22/h1-9,11-14,16-17H,10,15,18-19H2,(H,26,30)
InChIKeyBUPONSSGYSGCSW-UHFFFAOYSA-N
XLogP4.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-benzyl-1-(4-methylphenyl)-N-prop-2-ynyl-1,2,4-triazole-3-carboxamide
CID 42692876
5-methyl-1-(2-methylphenyl)-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide
CID 42692615
N-(2-morpholin-4-ylethyl)-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42881023
5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide
CID 20861279
5-benzyl-N-(1-methylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692844
N-[2-(1H-indol-3-yl)ethyl]-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42693068
5-benzyl-1-(4-methylphenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2,4-triazole-3-carboxamide
CID 42692873
5-benzyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 42880955
N-(3-imidazol-1-ylpropyl)-1-(3-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42881037
5-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42880948
N-benzyl-1-phenyl-N,5-bis(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42693071
5-benzyl-N-[(1-phenylcyclopropyl)methyl]-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
CID 59531916

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-phenyl-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-benzyl-1-phenyl-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide (CID 42692840) is 5-benzyl-1-phenyl-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-benzyl-1-phenyl-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-benzyl-1-phenyl-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide is O=C(NCCCc1ccccc1)c1nc(Cc2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 5-benzyl-1-phenyl-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is BUPONSSGYSGCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c30-25(26-18-10-15-20-11-4-1-5-12-20)24-27-23(19-21-13-6-2-7-14-21)29(28-24)22-16-8-3-9-17-22/h1-9,11-14,16-17H,10,15,18-19H2,(H,26,30).
What are the key properties of 5-benzyl-1-phenyl-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide?
5-benzyl-1-phenyl-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-phenyl-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42692840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).