N-(1,2-diphenylethyl)-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide

C30H26N4O — CID 42692756

IUPACN-(1,2-diphenylethyl)-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)NC(Cc3ccccc3)c3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C30H26N4O/c1-22-12-11-19-26(20-22)34-29(25-17-9-4-10-18-25)32-28(33-34)30(35)31-27(24-15-7-3-8-16-24)21-23-13-5-2-6-14-23/h2-20,27H,21H2,1H3,(H,31,35)
InChIKeyDZNHWFWLFCZXQF-UHFFFAOYSA-N
MW458.57 g/mol
LogP5.96
Rot. Bonds7

About N-(1,2-diphenylethyl)-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide

N-(1,2-diphenylethyl)-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 42692756) has the molecular formula C30H26N4O and a molecular weight of 458.57 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID42692756
Molecular FormulaC30H26N4O
Molecular Weight458.57 g/mol
Exact Mass458.21
IUPAC NameN-(1,2-diphenylethyl)-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)NC(Cc3ccccc3)c3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C30H26N4O/c1-22-12-11-19-26(20-22)34-29(25-17-9-4-10-18-25)32-28(33-34)30(35)31-27(24-15-7-3-8-16-24)21-23-13-5-2-6-14-23/h2-20,27H,21H2,1H3,(H,31,35)
InChIKeyDZNHWFWLFCZXQF-UHFFFAOYSA-N
XLogP5.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.57
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(1,2-diphenylethyl)-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide (CID 42692756) is N-(1,2-diphenylethyl)-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(1,2-diphenylethyl)-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(1,2-diphenylethyl)-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide is Cc1cccc(-n2nc(C(=O)NC(Cc3ccccc3)c3ccccc3)nc2-c2ccccc2)c1.
What is the InChIKey of N-(1,2-diphenylethyl)-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is DZNHWFWLFCZXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O/c1-22-12-11-19-26(20-22)34-29(25-17-9-4-10-18-25)32-28(33-34)30(35)31-27(24-15-7-3-8-16-24)21-23-13-5-2-6-14-23/h2-20,27H,21H2,1H3,(H,31,35).
What are the key properties of N-(1,2-diphenylethyl)-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
N-(1,2-diphenylethyl)-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42692756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).