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

C17H17N5O3 — CID 17015741

IUPAC5-amino-N-(2,5-dimethoxyphenyl)-1-phenyltriazole-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2nnn(-c3ccccc3)c2N)c1
InChIInChI=1S/C17H17N5O3/c1-24-12-8-9-14(25-2)13(10-12)19-17(23)15-16(18)22(21-20-15)11-6-4-3-5-7-11/h3-10H,18H2,1-2H3,(H,19,23)
InChIKeyUDKHCXGQSJSDFH-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.12
Rot. Bonds5

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

5-amino-N-(2,5-dimethoxyphenyl)-1-phenyltriazole-4-carboxamide (PubChem CID 17015741) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 5-amino-N-(2,5-dimethoxyphenyl)-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,5-dimethoxyphenyl)-1-phenyltriazole-4-carboxamide
PubChem CID17015741
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name5-amino-N-(2,5-dimethoxyphenyl)-1-phenyltriazole-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2nnn(-c3ccccc3)c2N)c1
InChIInChI=1S/C17H17N5O3/c1-24-12-8-9-14(25-2)13(10-12)19-17(23)15-16(18)22(21-20-15)11-6-4-3-5-7-11/h3-10H,18H2,1-2H3,(H,19,23)
InChIKeyUDKHCXGQSJSDFH-UHFFFAOYSA-N
XLogP2.12
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-amino-N-(2,5-dimethoxyphenyl)-1-phenyltriazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 17015721
5-amino-1-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide
CID 27261436
5-amino-N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)triazole-4-carboxamide
CID 27245734
N-(2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2083465
5-amino-N-(2,4-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 27262300
5-amino-N-(2-chloro-5-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 17015703
N-(2,4-dimethoxyphenyl)-5-ethyl-1-phenyltriazole-4-carboxamide
CID 91885850
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
1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-(methoxymethyl)triazole-4-carboxamide
CID 16651925
5-amino-1-(3-chlorophenyl)-N-(4-methoxyphenyl)triazole-4-carboxamide
CID 17015790
5-amino-1-(4-fluorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide
CID 17015784

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,5-dimethoxyphenyl)-1-phenyltriazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2,5-dimethoxyphenyl)-1-phenyltriazole-4-carboxamide (CID 17015741) is 5-amino-N-(2,5-dimethoxyphenyl)-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2,5-dimethoxyphenyl)-1-phenyltriazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2,5-dimethoxyphenyl)-1-phenyltriazole-4-carboxamide is COc1ccc(OC)c(NC(=O)c2nnn(-c3ccccc3)c2N)c1.
What is the InChIKey of 5-amino-N-(2,5-dimethoxyphenyl)-1-phenyltriazole-4-carboxamide?
The InChIKey is UDKHCXGQSJSDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-24-12-8-9-14(25-2)13(10-12)19-17(23)15-16(18)22(21-20-15)11-6-4-3-5-7-11/h3-10H,18H2,1-2H3,(H,19,23).
What are the key properties of 5-amino-N-(2,5-dimethoxyphenyl)-1-phenyltriazole-4-carboxamide?
5-amino-N-(2,5-dimethoxyphenyl)-1-phenyltriazole-4-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 2.12, 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-phenyltriazole-4-carboxamide is sourced from PubChem (CID 17015741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).