(3,5-diamino-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone

C7H7N5OS — CID 71744360

IUPAC(3,5-diamino-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone
SMILESNc1nc(N)n(C(=O)c2ccsc2)n1
InChIInChI=1S/C7H7N5OS/c8-6-10-7(9)12(11-6)5(13)4-1-2-14-3-4/h1-3H,(H4,8,9,10,11)
InChIKeyCXUNFBZKWWGEKA-UHFFFAOYSA-N
MW209.23 g/mol
LogP0.19
Rot. Bonds1

About (3,5-diamino-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone

(3,5-diamino-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone (PubChem CID 71744360) has the molecular formula C7H7N5OS and a molecular weight of 209.23 g/mol. Its IUPAC name is (3,5-diamino-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(3,5-diamino-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone
PubChem CID71744360
Molecular FormulaC7H7N5OS
Molecular Weight209.23 g/mol
Exact Mass209.04
IUPAC Name(3,5-diamino-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone
SMILESNc1nc(N)n(C(=O)c2ccsc2)n1
InChIInChI=1S/C7H7N5OS/c8-6-10-7(9)12(11-6)5(13)4-1-2-14-3-4/h1-3H,(H4,8,9,10,11)
InChIKeyCXUNFBZKWWGEKA-UHFFFAOYSA-N
XLogP0.19
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3,5-diamino-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone 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 (3,5-diamino-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone?
The IUPAC name of (3,5-diamino-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone (CID 71744360) is (3,5-diamino-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (3,5-diamino-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (3,5-diamino-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone is Nc1nc(N)n(C(=O)c2ccsc2)n1.
What is the InChIKey of (3,5-diamino-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone?
The InChIKey is CXUNFBZKWWGEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5OS/c8-6-10-7(9)12(11-6)5(13)4-1-2-14-3-4/h1-3H,(H4,8,9,10,11).
What are the key properties of (3,5-diamino-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone?
(3,5-diamino-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone has a molecular weight of 209.23 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diamino-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 71744360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).