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

C32H30N4O — CID 42693071

IUPACN-benzyl-1-phenyl-N,5-bis(2-phenylethyl)-1,2,4-triazole-3-carboxamide
SMILESO=C(c1nc(CCc2ccccc2)n(-c2ccccc2)n1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C32H30N4O/c37-32(35(25-28-17-9-3-10-18-28)24-23-27-15-7-2-8-16-27)31-33-30(22-21-26-13-5-1-6-14-26)36(34-31)29-19-11-4-12-20-29/h1-20H,21-25H2
InChIKeyIJEYQYCTAVLNGY-UHFFFAOYSA-N
MW486.62 g/mol
LogP5.94
Rot. Bonds10

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

N-benzyl-1-phenyl-N,5-bis(2-phenylethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 42693071) has the molecular formula C32H30N4O and a molecular weight of 486.62 g/mol. Its IUPAC name is N-benzyl-1-phenyl-N,5-bis(2-phenylethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-phenyl-N,5-bis(2-phenylethyl)-1,2,4-triazole-3-carboxamide
PubChem CID42693071
Molecular FormulaC32H30N4O
Molecular Weight486.62 g/mol
Exact Mass486.24
IUPAC NameN-benzyl-1-phenyl-N,5-bis(2-phenylethyl)-1,2,4-triazole-3-carboxamide
SMILESO=C(c1nc(CCc2ccccc2)n(-c2ccccc2)n1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C32H30N4O/c37-32(35(25-28-17-9-3-10-18-28)24-23-27-15-7-2-8-16-27)31-33-30(22-21-26-13-5-1-6-14-26)36(34-31)29-19-11-4-12-20-29/h1-20H,21-25H2
InChIKeyIJEYQYCTAVLNGY-UHFFFAOYSA-N
XLogP5.94
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-(3-methylphenyl)-N,5-bis(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42693124
N-(2-aminoethyl)-5-ethyl-1-phenyl-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 120886952
N-benzyl-N-(2-hydroxyethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 78796020
N-benzyl-N-(2-methoxyethyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 35145720
5-benzyl-1-phenyl-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide
CID 42692840
N-(2-morpholin-4-ylethyl)-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42881023
N-benzyl-1-(4-methoxyphenyl)-3-phenyl-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3434474
5-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42880948
N-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide
CID 112791256
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42693104
N-benzyl-6-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide
CID 113234599
N-benzyl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3371409

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenyl-N,5-bis(2-phenylethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-benzyl-1-phenyl-N,5-bis(2-phenylethyl)-1,2,4-triazole-3-carboxamide (CID 42693071) is N-benzyl-1-phenyl-N,5-bis(2-phenylethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-benzyl-1-phenyl-N,5-bis(2-phenylethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-benzyl-1-phenyl-N,5-bis(2-phenylethyl)-1,2,4-triazole-3-carboxamide is O=C(c1nc(CCc2ccccc2)n(-c2ccccc2)n1)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-1-phenyl-N,5-bis(2-phenylethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is IJEYQYCTAVLNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O/c37-32(35(25-28-17-9-3-10-18-28)24-23-27-15-7-2-8-16-27)31-33-30(22-21-26-13-5-1-6-14-26)36(34-31)29-19-11-4-12-20-29/h1-20H,21-25H2.
What are the key properties of N-benzyl-1-phenyl-N,5-bis(2-phenylethyl)-1,2,4-triazole-3-carboxamide?
N-benzyl-1-phenyl-N,5-bis(2-phenylethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 486.62 g/mol, XLogP of 5.94, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenyl-N,5-bis(2-phenylethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42693071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).