N-(3,4-dimethylphenyl)-1-(3-methylphenyl)-1,2,4-triazole-3-carboxamide

C18H18N4O — CID 42880872

IUPACN-(3,4-dimethylphenyl)-1-(3-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1cccc(-n2cnc(C(=O)Nc3ccc(C)c(C)c3)n2)c1
InChIInChI=1S/C18H18N4O/c1-12-5-4-6-16(9-12)22-11-19-17(21-22)18(23)20-15-8-7-13(2)14(3)10-15/h4-11H,1-3H3,(H,20,23)
InChIKeyQFHRWYWAEWUDOE-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.44
Rot. Bonds3

About N-(3,4-dimethylphenyl)-1-(3-methylphenyl)-1,2,4-triazole-3-carboxamide

N-(3,4-dimethylphenyl)-1-(3-methylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 42880872) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-(3-methylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-(3-methylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID42880872
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-(3,4-dimethylphenyl)-1-(3-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1cccc(-n2cnc(C(=O)Nc3ccc(C)c(C)c3)n2)c1
InChIInChI=1S/C18H18N4O/c1-12-5-4-6-16(9-12)22-11-19-17(21-22)18(23)20-15-8-7-13(2)14(3)10-15/h4-11H,1-3H3,(H,20,23)
InChIKeyQFHRWYWAEWUDOE-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

N-(3,4-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 15944274
1-(3-methylphenyl)-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide
CID 42692695
N-(3,4-dimethylphenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692529
N-(3-ethylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 15944264
N-(4-acetylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 2984874
1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
CID 2985670
5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 680133
N-(3,4-dimethylphenyl)-4-methylpyridine-2-carboxamide
CID 110857354
N-(3,4-dimethylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109315105
N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992464
N-(3,4-dimethylphenyl)-1-[3-(3-phenylpropylamino)propyl]-1,2,4-triazole-3-carboxamide
CID 45281080
1-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide
CID 24825087

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-(3-methylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-(3-methylphenyl)-1,2,4-triazole-3-carboxamide (CID 42880872) is N-(3,4-dimethylphenyl)-1-(3-methylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-(3-methylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-(3-methylphenyl)-1,2,4-triazole-3-carboxamide is Cc1cccc(-n2cnc(C(=O)Nc3ccc(C)c(C)c3)n2)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-(3-methylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is QFHRWYWAEWUDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12-5-4-6-16(9-12)22-11-19-17(21-22)18(23)20-15-8-7-13(2)14(3)10-15/h4-11H,1-3H3,(H,20,23).
What are the key properties of N-(3,4-dimethylphenyl)-1-(3-methylphenyl)-1,2,4-triazole-3-carboxamide?
N-(3,4-dimethylphenyl)-1-(3-methylphenyl)-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)-1-(3-methylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42880872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).