4-amino-5-methyl-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide

C9H9N5OS — CID 114386711

IUPAC4-amino-5-methyl-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2nccnn2)cc1N
InChIInChI=1S/C9H9N5OS/c1-5-6(10)4-7(16-5)8(15)13-9-11-2-3-12-14-9/h2-4H,10H2,1H3,(H,11,13,14,15)
InChIKeyJAFMWDCEOJHDOG-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.08
Rot. Bonds2

About 4-amino-5-methyl-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide

4-amino-5-methyl-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide (PubChem CID 114386711) has the molecular formula C9H9N5OS and a molecular weight of 235.27 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide
PubChem CID114386711
Molecular FormulaC9H9N5OS
Molecular Weight235.27 g/mol
Exact Mass235.05
IUPAC Name4-amino-5-methyl-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2nccnn2)cc1N
InChIInChI=1S/C9H9N5OS/c1-5-6(10)4-7(16-5)8(15)13-9-11-2-3-12-14-9/h2-4H,10H2,1H3,(H,11,13,14,15)
InChIKeyJAFMWDCEOJHDOG-UHFFFAOYSA-N
XLogP1.08
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-5-methyl-N-(1,2,4-triazin-3-yl)thiophene-2-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 4-amino-5-methyl-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide (CID 114386711) is 4-amino-5-methyl-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide is Cc1sc(C(=O)Nc2nccnn2)cc1N.
What is the InChIKey of 4-amino-5-methyl-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide?
The InChIKey is JAFMWDCEOJHDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5OS/c1-5-6(10)4-7(16-5)8(15)13-9-11-2-3-12-14-9/h2-4H,10H2,1H3,(H,11,13,14,15).
What are the key properties of 4-amino-5-methyl-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide?
4-amino-5-methyl-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide has a molecular weight of 235.27 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 114386711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).