5-methyl-1-(2-methylphenyl)-N-[(2-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide

C24H22N4O — CID 42692616

IUPAC5-methyl-1-(2-methylphenyl)-N-[(2-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide
SMILESCc1ccccc1-n1nc(C(=O)NCc2ccccc2-c2ccccc2)nc1C
InChIInChI=1S/C24H22N4O/c1-17-10-6-9-15-22(17)28-18(2)26-23(27-28)24(29)25-16-20-13-7-8-14-21(20)19-11-4-3-5-12-19/h3-15H,16H2,1-2H3,(H,25,29)
InChIKeyOTTYPDYUMSCICG-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.48
Rot. Bonds5

About 5-methyl-1-(2-methylphenyl)-N-[(2-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide

5-methyl-1-(2-methylphenyl)-N-[(2-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide (PubChem CID 42692616) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 5-methyl-1-(2-methylphenyl)-N-[(2-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(2-methylphenyl)-N-[(2-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide
PubChem CID42692616
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name5-methyl-1-(2-methylphenyl)-N-[(2-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide
SMILESCc1ccccc1-n1nc(C(=O)NCc2ccccc2-c2ccccc2)nc1C
InChIInChI=1S/C24H22N4O/c1-17-10-6-9-15-22(17)28-18(2)26-23(27-28)24(29)25-16-20-13-7-8-14-21(20)19-11-4-3-5-12-19/h3-15H,16H2,1-2H3,(H,25,29)
InChIKeyOTTYPDYUMSCICG-UHFFFAOYSA-N
XLogP4.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-(2-methylphenyl)-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide
CID 42692615
5-methyl-1-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazole-3-carboxamide
CID 42692587
1-(2-methylphenyl)-N,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 50745567
2-[[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]acetic acid
CID 119171359
N-[(2-phenylphenyl)methyl]pyridine-4-carboxamide
CID 23497805
5-methyl-1-(2-methylphenyl)-3-phenyl-1,2,4-triazole
CID 71073412
1-(4-fluorophenyl)-5-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazole-3-carboxamide
CID 56518380
N-[2-(2,4-dichlorophenyl)ethyl]-1-(2-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42693185
1-(2-methylphenyl)-5-(4-methylphenyl)-N-phenyl-1,2,4-triazole-3-carboxamide
CID 14904628
5-methyl-1-(2-methylphenyl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrazole-4-carboxamide
CID 71889400
5-[[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]pentanoic acid
CID 119234576
1-(4-fluorophenyl)-5-methyl-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide
CID 24508971

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylphenyl)-N-[(2-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-methyl-1-(2-methylphenyl)-N-[(2-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide (CID 42692616) is 5-methyl-1-(2-methylphenyl)-N-[(2-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-methyl-1-(2-methylphenyl)-N-[(2-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-methyl-1-(2-methylphenyl)-N-[(2-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide is Cc1ccccc1-n1nc(C(=O)NCc2ccccc2-c2ccccc2)nc1C.
What is the InChIKey of 5-methyl-1-(2-methylphenyl)-N-[(2-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is OTTYPDYUMSCICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-17-10-6-9-15-22(17)28-18(2)26-23(27-28)24(29)25-16-20-13-7-8-14-21(20)19-11-4-3-5-12-19/h3-15H,16H2,1-2H3,(H,25,29).
What are the key properties of 5-methyl-1-(2-methylphenyl)-N-[(2-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide?
5-methyl-1-(2-methylphenyl)-N-[(2-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylphenyl)-N-[(2-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42692616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).