1-(2,6-dimethylphenyl)-N-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide

C20H22N4O2 — CID 7246370

IUPAC1-(2,6-dimethylphenyl)-N-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1nnn(-c2c(C)cccc2C)c1C
InChIInChI=1S/C20H22N4O2/c1-12-9-10-17(26-5)16(11-12)21-20(25)18-15(4)24(23-22-18)19-13(2)7-6-8-14(19)3/h6-11H,1-5H3,(H,21,25)
InChIKeyKOAKRXBDGRYQPE-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.76
Rot. Bonds4

About 1-(2,6-dimethylphenyl)-N-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide

1-(2,6-dimethylphenyl)-N-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 7246370) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-N-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-N-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
PubChem CID7246370
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-(2,6-dimethylphenyl)-N-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1nnn(-c2c(C)cccc2C)c1C
InChIInChI=1S/C20H22N4O2/c1-12-9-10-17(26-5)16(11-12)21-20(25)18-15(4)24(23-22-18)19-13(2)7-6-8-14(19)3/h6-11H,1-5H3,(H,21,25)
InChIKeyKOAKRXBDGRYQPE-UHFFFAOYSA-N
XLogP3.76
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(2-methoxy-5-methylphenyl)-1-(2-phenylethyl)triazole-4-carboxamide
CID 2135897
(1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 169248098
(1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 169248327
1-benzyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyltriazole-4-carboxamide
CID 11547151
1-benzyl-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-5-methyltriazole-4-carboxamide
CID 11576528
1-[(4-methoxyphenyl)methyl]-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-5-methyltriazole-4-carboxamide
CID 11613105
1-[(4-methoxyphenyl)methyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-propyltriazole-4-carboxamide
CID 11663604
1-[(4-methoxyphenyl)methyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyltriazole-4-carboxamide
CID 11670421
1-benzyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-propyltriazole-4-carboxamide
CID 11720119
5-amino-1-{2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}-N-(2-methoxy-5-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
CID 16023470
5-amino-N-(2-methoxy-5-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-4-triazolecarboxamide
CID 16193337
N-(2,6-dimethylphenyl)-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 16649224

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-N-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(2,6-dimethylphenyl)-N-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide (CID 7246370) is 1-(2,6-dimethylphenyl)-N-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-N-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(2,6-dimethylphenyl)-N-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide is COc1ccc(C)cc1NC(=O)c1nnn(-c2c(C)cccc2C)c1C.
What is the InChIKey of 1-(2,6-dimethylphenyl)-N-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is KOAKRXBDGRYQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-12-9-10-17(26-5)16(11-12)21-20(25)18-15(4)24(23-22-18)19-13(2)7-6-8-14(19)3/h6-11H,1-5H3,(H,21,25).
What are the key properties of 1-(2,6-dimethylphenyl)-N-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide?
1-(2,6-dimethylphenyl)-N-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-N-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 7246370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).