4-chloro-6-(thiolan-3-yl)pyridazin-3-amine

C8H10ClN3S — CID 117105031

IUPAC4-chloro-6-(thiolan-3-yl)pyridazin-3-amine
SMILESNc1nnc(C2CCSC2)cc1Cl
InChIInChI=1S/C8H10ClN3S/c9-6-3-7(11-12-8(6)10)5-1-2-13-4-5/h3,5H,1-2,4H2,(H2,10,12)
InChIKeyOWHQYWRCDFIMCY-UHFFFAOYSA-N
MW215.71 g/mol
LogP1.93
Rot. Bonds1

About 4-chloro-6-(thiolan-3-yl)pyridazin-3-amine

4-chloro-6-(thiolan-3-yl)pyridazin-3-amine (PubChem CID 117105031) has the molecular formula C8H10ClN3S and a molecular weight of 215.71 g/mol. Its IUPAC name is 4-chloro-6-(thiolan-3-yl)pyridazin-3-amine.

Molecular Properties

Compound Name4-chloro-6-(thiolan-3-yl)pyridazin-3-amine
PubChem CID117105031
Molecular FormulaC8H10ClN3S
Molecular Weight215.71 g/mol
Exact Mass215.03
IUPAC Name4-chloro-6-(thiolan-3-yl)pyridazin-3-amine
SMILESNc1nnc(C2CCSC2)cc1Cl
InChIInChI=1S/C8H10ClN3S/c9-6-3-7(11-12-8(6)10)5-1-2-13-4-5/h3,5H,1-2,4H2,(H2,10,12)
InChIKeyOWHQYWRCDFIMCY-UHFFFAOYSA-N
XLogP1.93
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.71
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-(thiolan-3-yl)pyridazin-3-amine 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

4-Chloro-6-propan-2-ylpyridazin-3-amine
CID 117106925
6-[2-[2-(6-Chloropyridazin-3-yl)ethylsulfanyl]ethyl]pyridazin-3-amine
CID 117748282
3-Chloro-6-[(3-methylcyclohexyl)sulfanylmethyl]pyridazine
CID 104514371
3-Chloro-6-(cyclopentylmethylsulfanylmethyl)pyridazine
CID 104514382
6-(5-Chlorothiophen-3-yl)pyridazin-3-amine
CID 105558271
3-Chloro-6-(3-methylbutan-2-ylsulfanylmethyl)pyridazine
CID 107747457
3-Chloro-6-(2-methylbutylsulfanylmethyl)pyridazine
CID 107747475
3-Chloro-6-(3-methylbutylsulfanylmethyl)pyridazine
CID 107747492
6-(1,1-Dioxothiolan-3-yl)pyridazin-3-amine
CID 117105007
3-(6-Chloropyridazin-3-yl)thiolane 1,1-dioxide
CID 117105009
4-Chloro-6-(1,1-dioxothiolan-3-yl)pyridazin-3-amine
CID 117105015
6-(Thiolan-3-yl)pyridazin-3-amine
CID 117105023

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(thiolan-3-yl)pyridazin-3-amine?
The IUPAC name of 4-chloro-6-(thiolan-3-yl)pyridazin-3-amine (CID 117105031) is 4-chloro-6-(thiolan-3-yl)pyridazin-3-amine.
What is the SMILES notation for 4-chloro-6-(thiolan-3-yl)pyridazin-3-amine?
The canonical SMILES for 4-chloro-6-(thiolan-3-yl)pyridazin-3-amine is Nc1nnc(C2CCSC2)cc1Cl.
What is the InChIKey of 4-chloro-6-(thiolan-3-yl)pyridazin-3-amine?
The InChIKey is OWHQYWRCDFIMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3S/c9-6-3-7(11-12-8(6)10)5-1-2-13-4-5/h3,5H,1-2,4H2,(H2,10,12).
What are the key properties of 4-chloro-6-(thiolan-3-yl)pyridazin-3-amine?
4-chloro-6-(thiolan-3-yl)pyridazin-3-amine has a molecular weight of 215.71 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(thiolan-3-yl)pyridazin-3-amine is sourced from PubChem (CID 117105031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).