N-(3,4-dimethylphenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide

C18H18N4O — CID 42692529

IUPACN-(3,4-dimethylphenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2nc(C)n(-c3ccccc3)n2)cc1C
InChIInChI=1S/C18H18N4O/c1-12-9-10-15(11-13(12)2)20-18(23)17-19-14(3)22(21-17)16-7-5-4-6-8-16/h4-11H,1-3H3,(H,20,23)
InChIKeyMBZLVJVRQXQSBR-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.44
Rot. Bonds3

About N-(3,4-dimethylphenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide

N-(3,4-dimethylphenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 42692529) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID42692529
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-(3,4-dimethylphenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2nc(C)n(-c3ccccc3)n2)cc1C
InChIInChI=1S/C18H18N4O/c1-12-9-10-15(11-13(12)2)20-18(23)17-19-14(3)22(21-17)16-7-5-4-6-8-16/h4-11H,1-3H3,(H,20,23)
InChIKeyMBZLVJVRQXQSBR-UHFFFAOYSA-N
XLogP3.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 680133
N-(3,4-dimethylphenyl)-1,5-diphenyltriazole-4-carboxamide
CID 16651449
5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 166200539
N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 46577913
N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4849380
N-(3,4-dimethylphenyl)-1-(3-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 42880872
1-(3,5-dichlorophenyl)-N-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 1473971
N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992464
N-(5-fluoro-2-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4799414
N-(1-ethyl-5-methylpyrazol-4-yl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 166250317
6-cyclopropyl-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17026278
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 18204542

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide (CID 42692529) is N-(3,4-dimethylphenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide is Cc1ccc(NC(=O)c2nc(C)n(-c3ccccc3)n2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is MBZLVJVRQXQSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12-9-10-15(11-13(12)2)20-18(23)17-19-14(3)22(21-17)16-7-5-4-6-8-16/h4-11H,1-3H3,(H,20,23).
What are the key properties of N-(3,4-dimethylphenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide?
N-(3,4-dimethylphenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42692529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).