5-methyl-1-(2-methylphenyl)-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide

C20H22N4O — CID 42692615

IUPAC5-methyl-1-(2-methylphenyl)-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccccc1-n1nc(C(=O)NCCCc2ccccc2)nc1C
InChIInChI=1S/C20H22N4O/c1-15-9-6-7-13-18(15)24-16(2)22-19(23-24)20(25)21-14-8-12-17-10-4-3-5-11-17/h3-7,9-11,13H,8,12,14H2,1-2H3,(H,21,25)
InChIKeyJCYMRIOPMCHOKA-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.25
Rot. Bonds6

About 5-methyl-1-(2-methylphenyl)-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide

5-methyl-1-(2-methylphenyl)-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide (PubChem CID 42692615) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-methyl-1-(2-methylphenyl)-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(2-methylphenyl)-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide
PubChem CID42692615
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name5-methyl-1-(2-methylphenyl)-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccccc1-n1nc(C(=O)NCCCc2ccccc2)nc1C
InChIInChI=1S/C20H22N4O/c1-15-9-6-7-13-18(15)24-16(2)22-19(23-24)20(25)21-14-8-12-17-10-4-3-5-11-17/h3-7,9-11,13H,8,12,14H2,1-2H3,(H,21,25)
InChIKeyJCYMRIOPMCHOKA-UHFFFAOYSA-N
XLogP3.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.25
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-methyl-1-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazole-3-carboxamide
CID 42692587
5-benzyl-1-phenyl-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide
CID 42692840
5-methyl-1-(2-methylphenyl)-N-[(2-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide
CID 42692616
5-[[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]pentanoic acid
CID 119234576
N-[2-(2,4-dichlorophenyl)ethyl]-1-(2-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42693185
1-(2-chlorophenyl)-5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazole-3-carboxamide
CID 56794536
N-cyclohexyl-1-(2-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42693173
5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide
CID 20861279
2-[[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]acetic acid
CID 119171359
2-methyl-6-(2-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109373582
2,5-dimethyl-N-(3-phenylpropyl)benzamide
CID 2202785
3-methyl-N-(3-phenylpropyl)-1,2,4-thiadiazole-5-carboxamide
CID 71807159

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylphenyl)-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-methyl-1-(2-methylphenyl)-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide (CID 42692615) is 5-methyl-1-(2-methylphenyl)-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-methyl-1-(2-methylphenyl)-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-methyl-1-(2-methylphenyl)-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide is Cc1ccccc1-n1nc(C(=O)NCCCc2ccccc2)nc1C.
What is the InChIKey of 5-methyl-1-(2-methylphenyl)-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is JCYMRIOPMCHOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-9-6-7-13-18(15)24-16(2)22-19(23-24)20(25)21-14-8-12-17-10-4-3-5-11-17/h3-7,9-11,13H,8,12,14H2,1-2H3,(H,21,25).
What are the key properties of 5-methyl-1-(2-methylphenyl)-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide?
5-methyl-1-(2-methylphenyl)-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.25, 6 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-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42692615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).