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

C18H18N4O — CID 24825024

IUPACN-methyl-N,1-bis(4-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(N(C)C(=O)c2ncn(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C18H18N4O/c1-13-4-8-15(9-5-13)21(3)18(23)17-19-12-22(20-17)16-10-6-14(2)7-11-16/h4-12H,1-3H3
InChIKeyVRUMSKFUBKEOMT-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.16
Rot. Bonds3

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

N-methyl-N,1-bis(4-methylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 24825024) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-methyl-N,1-bis(4-methylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N,1-bis(4-methylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID24825024
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-methyl-N,1-bis(4-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(N(C)C(=O)c2ncn(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C18H18N4O/c1-13-4-8-15(9-5-13)21(3)18(23)17-19-12-22(20-17)16-10-6-14(2)7-11-16/h4-12H,1-3H3
InChIKeyVRUMSKFUBKEOMT-UHFFFAOYSA-N
XLogP3.16
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 686169
4-cyclopropyl-1,3-dimethyl-6-[4-(4-methylphenyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one
CID 146322265
1-(4-Methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 6473223
N-[4-(4-benzyl-1-piperazinyl)phenyl]-1H-1,2,4-triazole-3-carboxamide
CID 1090691
Azepan-1-yl-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone
CID 2542208
N-(4-acetylphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 2984874
N-pentan-2-yl-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4835789
4,5-Dihydro-5,8-dimethyl-2-phenyl-1,2,4-triazolo[1,5-a]quinoxalin-4-one
CID 11543839
N-(4-fluorophenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 15944261
N-(3-chloro-4-methylphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 15990033
N-(3,5-dimethylphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 15990151
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(3,4-dimethylphenyl)-1,2,4-triazole-3-carboxamide
CID 44601554

Frequently Asked Questions

What is the IUPAC name of N-methyl-N,1-bis(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-methyl-N,1-bis(4-methylphenyl)-1,2,4-triazole-3-carboxamide (CID 24825024) is N-methyl-N,1-bis(4-methylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-methyl-N,1-bis(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-methyl-N,1-bis(4-methylphenyl)-1,2,4-triazole-3-carboxamide is Cc1ccc(N(C)C(=O)c2ncn(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of N-methyl-N,1-bis(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is VRUMSKFUBKEOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-4-8-15(9-5-13)21(3)18(23)17-19-12-22(20-17)16-10-6-14(2)7-11-16/h4-12H,1-3H3.
What are the key properties of N-methyl-N,1-bis(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
N-methyl-N,1-bis(4-methylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,1-bis(4-methylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 24825024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).