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

C9H12ClN3S — CID 117105168

IUPAC4-chloro-6-(thian-4-yl)pyridazin-3-amine
SMILESNc1nnc(C2CCSCC2)cc1Cl
InChIInChI=1S/C9H12ClN3S/c10-7-5-8(12-13-9(7)11)6-1-3-14-4-2-6/h5-6H,1-4H2,(H2,11,13)
InChIKeyULOIAENTXCFHGF-UHFFFAOYSA-N
MW229.74 g/mol
LogP2.32
Rot. Bonds1

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

4-chloro-6-(thian-4-yl)pyridazin-3-amine (PubChem CID 117105168) has the molecular formula C9H12ClN3S and a molecular weight of 229.74 g/mol. Its IUPAC name is 4-chloro-6-(thian-4-yl)pyridazin-3-amine.

Molecular Properties

Compound Name4-chloro-6-(thian-4-yl)pyridazin-3-amine
PubChem CID117105168
Molecular FormulaC9H12ClN3S
Molecular Weight229.74 g/mol
Exact Mass229.04
IUPAC Name4-chloro-6-(thian-4-yl)pyridazin-3-amine
SMILESNc1nnc(C2CCSCC2)cc1Cl
InChIInChI=1S/C9H12ClN3S/c10-7-5-8(12-13-9(7)11)6-1-3-14-4-2-6/h5-6H,1-4H2,(H2,11,13)
InChIKeyULOIAENTXCFHGF-UHFFFAOYSA-N
XLogP2.32
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.74
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
4-Benzylsulfanyl-6-chloropyridazin-3-amine
CID 122507888
3-Chloro-6-propan-2-ylpyridazine;6-propan-2-ylpyridazin-3-amine
CID 159016378
7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine
CID 62784592
3-(Benzylsulfanylmethyl)-6-chloropyridazine
CID 104514301
3-Chloro-6-[(3-methylcyclohexyl)sulfanylmethyl]pyridazine
CID 104514371
3-Chloro-6-(cyclopentylmethylsulfanylmethyl)pyridazine
CID 104514382
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
4-Chloro-6-(1,1-dioxothiolan-3-yl)pyridazin-3-amine
CID 117105015

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(thian-4-yl)pyridazin-3-amine?
The IUPAC name of 4-chloro-6-(thian-4-yl)pyridazin-3-amine (CID 117105168) is 4-chloro-6-(thian-4-yl)pyridazin-3-amine.
What is the SMILES notation for 4-chloro-6-(thian-4-yl)pyridazin-3-amine?
The canonical SMILES for 4-chloro-6-(thian-4-yl)pyridazin-3-amine is Nc1nnc(C2CCSCC2)cc1Cl.
What is the InChIKey of 4-chloro-6-(thian-4-yl)pyridazin-3-amine?
The InChIKey is ULOIAENTXCFHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3S/c10-7-5-8(12-13-9(7)11)6-1-3-14-4-2-6/h5-6H,1-4H2,(H2,11,13).
What are the key properties of 4-chloro-6-(thian-4-yl)pyridazin-3-amine?
4-chloro-6-(thian-4-yl)pyridazin-3-amine has a molecular weight of 229.74 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(thian-4-yl)pyridazin-3-amine is sourced from PubChem (CID 117105168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).