5-amino-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide

C18H19N5O3 — CID 17015721

IUPAC5-amino-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2nnn(-c3ccc(C)cc3)c2N)c1
InChIInChI=1S/C18H19N5O3/c1-11-4-6-12(7-5-11)23-17(19)16(21-22-23)18(24)20-14-10-13(25-2)8-9-15(14)26-3/h4-10H,19H2,1-3H3,(H,20,24)
InChIKeyUFBOZDXIMZHAQS-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.43
Rot. Bonds5

About 5-amino-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide

5-amino-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 17015721) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 5-amino-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
PubChem CID17015721
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name5-amino-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2nnn(-c3ccc(C)cc3)c2N)c1
InChIInChI=1S/C18H19N5O3/c1-11-4-6-12(7-5-11)23-17(19)16(21-22-23)18(24)20-14-10-13(25-2)8-9-15(14)26-3/h4-10H,19H2,1-3H3,(H,20,24)
InChIKeyUFBOZDXIMZHAQS-UHFFFAOYSA-N
XLogP2.43
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-N-(2,5-dimethoxyphenyl)-1-phenyltriazole-4-carboxamide
CID 17015741
5-amino-1-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide
CID 27261436
5-amino-N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 17014925
5-amino-N-(2,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 17015807
5-amino-N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)triazole-4-carboxamide
CID 27245734
5-amino-N-(2-chloro-5-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 17015703
1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-(methoxymethyl)triazole-4-carboxamide
CID 16651925
5-amino-N-(2,4-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 27262300
5-amino-N-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide
CID 20923682
5-amino-1-[(5-bromo-2-methoxyphenyl)methyl]-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide
CID 16800036
5-amino-1-[2-(3-methoxyanilino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)triazole-4-carboxamide
CID 20923781
N-(2-amino-5-methoxyphenyl)-5-methyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
CID 119421043

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide (CID 17015721) is 5-amino-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide is COc1ccc(OC)c(NC(=O)c2nnn(-c3ccc(C)cc3)c2N)c1.
What is the InChIKey of 5-amino-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is UFBOZDXIMZHAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-11-4-6-12(7-5-11)23-17(19)16(21-22-23)18(24)20-14-10-13(25-2)8-9-15(14)26-3/h4-10H,19H2,1-3H3,(H,20,24).
What are the key properties of 5-amino-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide?
5-amino-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 17015721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).