N-(3,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide

C20H22N4O3 — CID 22516262

IUPACN-(3,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2nnn(-c3cc(C)cc(C)c3)c2C)cc(OC)c1
InChIInChI=1S/C20H22N4O3/c1-12-6-13(2)8-16(7-12)24-14(3)19(22-23-24)20(25)21-15-9-17(26-4)11-18(10-15)27-5/h6-11H,1-5H3,(H,21,25)
InChIKeyYUQMPZSEQBWKMN-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.46
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide

N-(3,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 22516262) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide
PubChem CID22516262
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-(3,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2nnn(-c3cc(C)cc(C)c3)c2C)cc(OC)c1
InChIInChI=1S/C20H22N4O3/c1-12-6-13(2)8-16(7-12)24-14(3)19(22-23-24)20(25)21-15-9-17(26-4)11-18(10-15)27-5/h6-11H,1-5H3,(H,21,25)
InChIKeyYUQMPZSEQBWKMN-UHFFFAOYSA-N
XLogP3.46
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 16654361
1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 55667186
1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 112821981
1-(3,5-dimethylphenyl)-N-(4-fluorophenyl)-5-(methoxymethyl)triazole-4-carboxamide
CID 17014875
diethyl 5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 55666296
N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 16648407
N-(3-tert-butylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;ethane
CID 169248286
N-butyl-1-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 27234925
ethyl 4-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 16649100
1-(3-methoxyphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 16648432
N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150259
5-(methoxymethyl)-N-(3-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651697

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide (CID 22516262) is N-(3,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide is COc1cc(NC(=O)c2nnn(-c3cc(C)cc(C)c3)c2C)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is YUQMPZSEQBWKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-12-6-13(2)8-16(7-12)24-14(3)19(22-23-24)20(25)21-15-9-17(26-4)11-18(10-15)27-5/h6-11H,1-5H3,(H,21,25).
What are the key properties of N-(3,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide?
N-(3,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 22516262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).