5-amino-N-(3,4-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide

C19H21N5O3 — CID 7386220

IUPAC5-amino-N-(3,4-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2nnn(Cc3ccccc3C)c2N)cc1OC
InChIInChI=1S/C19H21N5O3/c1-12-6-4-5-7-13(12)11-24-18(20)17(22-23-24)19(25)21-14-8-9-15(26-2)16(10-14)27-3/h4-10H,11,20H2,1-3H3,(H,21,25)
InChIKeyLGLPRMXVPJIQRC-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.49
Rot. Bonds6

About 5-amino-N-(3,4-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide

5-amino-N-(3,4-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide (PubChem CID 7386220) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-amino-N-(3,4-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3,4-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
PubChem CID7386220
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name5-amino-N-(3,4-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2nnn(Cc3ccccc3C)c2N)cc1OC
InChIInChI=1S/C19H21N5O3/c1-12-6-4-5-7-13(12)11-24-18(20)17(22-23-24)19(25)21-14-8-9-15(26-2)16(10-14)27-3/h4-10H,11,20H2,1-3H3,(H,21,25)
InChIKeyLGLPRMXVPJIQRC-UHFFFAOYSA-N
XLogP2.49
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-1-[(2-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)triazole-4-carboxamide
CID 7386091
5-amino-N-(3,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide
CID 7386140
5-amino-1-[(5-bromo-2-methoxyphenyl)methyl]-N-(4-bromo-3-methylphenyl)triazole-4-carboxamide
CID 16800037
5-amino-N-(3,4-dimethoxyphenyl)-1-[2-(3,5-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide
CID 16798697
5-amino-1-[(5-bromo-2-methoxyphenyl)methyl]-N-(3-methylphenyl)triazole-4-carboxamide
CID 20862674
5-amino-1-[(5-bromo-2-methoxyphenyl)methyl]-N-(3-fluoro-4-methylphenyl)triazole-4-carboxamide
CID 50927834
5-amino-N-(3,4-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 20862642
5-amino-N-benzyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
CID 20862522
5-amino-N-(3,4-dimethoxyphenyl)-1-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]triazole-4-carboxamide
CID 46393338
N'-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 7585276
N-(3,4-dimethoxyphenyl)-2-[3-[(2-methylphenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 45030127
5-amino-1-benzyl-N-(3-fluoro-4-methylphenyl)triazole-4-carboxamide
CID 50927803

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3,4-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(3,4-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide (CID 7386220) is 5-amino-N-(3,4-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(3,4-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(3,4-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide is COc1ccc(NC(=O)c2nnn(Cc3ccccc3C)c2N)cc1OC.
What is the InChIKey of 5-amino-N-(3,4-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide?
The InChIKey is LGLPRMXVPJIQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12-6-4-5-7-13(12)11-24-18(20)17(22-23-24)19(25)21-14-8-9-15(26-2)16(10-14)27-3/h4-10H,11,20H2,1-3H3,(H,21,25).
What are the key properties of 5-amino-N-(3,4-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide?
5-amino-N-(3,4-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3,4-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 7386220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).