[6-(1,2,4-thiadiazol-5-ylsulfanyl)pyridazin-3-yl]methanamine

C7H7N5S2 — CID 131195900

IUPAC[6-(1,2,4-thiadiazol-5-ylsulfanyl)pyridazin-3-yl]methanamine
SMILESNCc1ccc(Sc2ncns2)nn1
InChIInChI=1S/C7H7N5S2/c8-3-5-1-2-6(12-11-5)13-7-9-4-10-14-7/h1-2,4H,3,8H2
InChIKeyPHAKGRBUZFGZQC-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.94
Rot. Bonds3

About [6-(1,2,4-thiadiazol-5-ylsulfanyl)pyridazin-3-yl]methanamine

[6-(1,2,4-thiadiazol-5-ylsulfanyl)pyridazin-3-yl]methanamine (PubChem CID 131195900) has the molecular formula C7H7N5S2 and a molecular weight of 225.30 g/mol. Its IUPAC name is [6-(1,2,4-thiadiazol-5-ylsulfanyl)pyridazin-3-yl]methanamine.

Molecular Properties

Compound Name[6-(1,2,4-thiadiazol-5-ylsulfanyl)pyridazin-3-yl]methanamine
PubChem CID131195900
Molecular FormulaC7H7N5S2
Molecular Weight225.30 g/mol
Exact Mass225.01
IUPAC Name[6-(1,2,4-thiadiazol-5-ylsulfanyl)pyridazin-3-yl]methanamine
SMILESNCc1ccc(Sc2ncns2)nn1
InChIInChI=1S/C7H7N5S2/c8-3-5-1-2-6(12-11-5)13-7-9-4-10-14-7/h1-2,4H,3,8H2
InChIKeyPHAKGRBUZFGZQC-UHFFFAOYSA-N
XLogP0.94
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [6-(1,2,4-thiadiazol-5-ylsulfanyl)pyridazin-3-yl]methanamine 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 [6-(1,2,4-thiadiazol-5-ylsulfanyl)pyridazin-3-yl]methanamine?
The IUPAC name of [6-(1,2,4-thiadiazol-5-ylsulfanyl)pyridazin-3-yl]methanamine (CID 131195900) is [6-(1,2,4-thiadiazol-5-ylsulfanyl)pyridazin-3-yl]methanamine.
What is the SMILES notation for [6-(1,2,4-thiadiazol-5-ylsulfanyl)pyridazin-3-yl]methanamine?
The canonical SMILES for [6-(1,2,4-thiadiazol-5-ylsulfanyl)pyridazin-3-yl]methanamine is NCc1ccc(Sc2ncns2)nn1.
What is the InChIKey of [6-(1,2,4-thiadiazol-5-ylsulfanyl)pyridazin-3-yl]methanamine?
The InChIKey is PHAKGRBUZFGZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5S2/c8-3-5-1-2-6(12-11-5)13-7-9-4-10-14-7/h1-2,4H,3,8H2.
What are the key properties of [6-(1,2,4-thiadiazol-5-ylsulfanyl)pyridazin-3-yl]methanamine?
[6-(1,2,4-thiadiazol-5-ylsulfanyl)pyridazin-3-yl]methanamine has a molecular weight of 225.30 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,2,4-thiadiazol-5-ylsulfanyl)pyridazin-3-yl]methanamine is sourced from PubChem (CID 131195900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).