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

C19H20N4O — CID 2150262

IUPACN-(2,4-dimethylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)Nc3ccc(C)cc3C)c2C)cc1
InChIInChI=1S/C19H20N4O/c1-12-5-8-16(9-6-12)23-15(4)18(21-22-23)19(24)20-17-10-7-13(2)11-14(17)3/h5-11H,1-4H3,(H,20,24)
InChIKeyZIZHXTQYPVXKDG-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.75
Rot. Bonds3

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

N-(2,4-dimethylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 2150262) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
PubChem CID2150262
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-(2,4-dimethylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)Nc3ccc(C)cc3C)c2C)cc1
InChIInChI=1S/C19H20N4O/c1-12-5-8-16(9-6-12)23-15(4)18(21-22-23)19(24)20-17-10-7-13(2)11-14(17)3/h5-11H,1-4H3,(H,20,24)
InChIKeyZIZHXTQYPVXKDG-UHFFFAOYSA-N
XLogP3.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2150290
N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide
CID 2150249
5-amino-N-(2,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 17015807
1-(3-fluoro-4-methylphenyl)-N-(4-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide
CID 7246369
N-(2,4-dimethylphenyl)-5-(methoxymethyl)-1-phenyltriazole-4-carboxamide
CID 16651250
1-(4-chlorophenyl)-5-methyl-N-(4-methyl-2-nitrophenyl)triazole-4-carboxamide
CID 16651356
1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 6464147
N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150259
N-(2,4-dimethylphenyl)-4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 22578709
1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
CID 7184921
1-[4-(difluoromethoxy)phenyl]-N-(2,4-dimethylphenyl)-5-ethyltriazole-4-carboxamide
CID 16654323
1-(3-bromophenyl)-N-(2-chloro-4-methylphenyl)-5-methyltriazole-4-carboxamide
CID 60527351

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide (CID 2150262) is N-(2,4-dimethylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide is Cc1ccc(-n2nnc(C(=O)Nc3ccc(C)cc3C)c2C)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is ZIZHXTQYPVXKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-12-5-8-16(9-6-12)23-15(4)18(21-22-23)19(24)20-17-10-7-13(2)11-14(17)3/h5-11H,1-4H3,(H,20,24).
What are the key properties of N-(2,4-dimethylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
N-(2,4-dimethylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 2150262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).