5-amino-N-methyl-N-phenyl-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carboxamide

C16H17N7O3S — CID 155554281

IUPAC5-amino-N-methyl-N-phenyl-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carboxamide
SMILESCN(C(=O)n1nc(Nc2ccc(S(N)(=O)=O)cc2)nc1N)c1ccccc1
InChIInChI=1S/C16H17N7O3S/c1-22(12-5-3-2-4-6-12)16(24)23-14(17)20-15(21-23)19-11-7-9-13(10-8-11)27(18,25)26/h2-10H,1H3,(H2,18,25,26)(H3,17,19,20,21)
InChIKeyYZIVBEJULMKRNQ-UHFFFAOYSA-N
MW387.43 g/mol
LogP1.36
Rot. Bonds4

About 5-amino-N-methyl-N-phenyl-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carboxamide

5-amino-N-methyl-N-phenyl-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carboxamide (PubChem CID 155554281) has the molecular formula C16H17N7O3S and a molecular weight of 387.43 g/mol. Its IUPAC name is 5-amino-N-methyl-N-phenyl-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-phenyl-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carboxamide
PubChem CID155554281
Molecular FormulaC16H17N7O3S
Molecular Weight387.43 g/mol
Exact Mass387.11
IUPAC Name5-amino-N-methyl-N-phenyl-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carboxamide
SMILESCN(C(=O)n1nc(Nc2ccc(S(N)(=O)=O)cc2)nc1N)c1ccccc1
InChIInChI=1S/C16H17N7O3S/c1-22(12-5-3-2-4-6-12)16(24)23-14(17)20-15(21-23)19-11-7-9-13(10-8-11)27(18,25)26/h2-10H,1H3,(H2,18,25,26)(H3,17,19,20,21)
InChIKeyYZIVBEJULMKRNQ-UHFFFAOYSA-N
XLogP1.36
TPSA149.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-amino-N-methyl-N-phenyl-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-phenyl-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carboxamide?
The IUPAC name of 5-amino-N-methyl-N-phenyl-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carboxamide (CID 155554281) is 5-amino-N-methyl-N-phenyl-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for 5-amino-N-methyl-N-phenyl-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carboxamide?
The canonical SMILES for 5-amino-N-methyl-N-phenyl-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carboxamide is CN(C(=O)n1nc(Nc2ccc(S(N)(=O)=O)cc2)nc1N)c1ccccc1.
What is the InChIKey of 5-amino-N-methyl-N-phenyl-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carboxamide?
The InChIKey is YZIVBEJULMKRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O3S/c1-22(12-5-3-2-4-6-12)16(24)23-14(17)20-15(21-23)19-11-7-9-13(10-8-11)27(18,25)26/h2-10H,1H3,(H2,18,25,26)(H3,17,19,20,21).
What are the key properties of 5-amino-N-methyl-N-phenyl-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carboxamide?
5-amino-N-methyl-N-phenyl-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carboxamide has a molecular weight of 387.43 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-phenyl-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 155554281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).