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

C8H10ClN3S — CID 117105029

IUPAC3-chloro-6-(thiolan-3-yl)pyridazin-4-amine
SMILESNc1cc(C2CCSC2)nnc1Cl
InChIInChI=1S/C8H10ClN3S/c9-8-6(10)3-7(11-12-8)5-1-2-13-4-5/h3,5H,1-2,4H2,(H2,10,11)
InChIKeyYVTTVRSFCUTAEX-UHFFFAOYSA-N
MW215.71 g/mol
LogP1.93
Rot. Bonds1

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

3-chloro-6-(thiolan-3-yl)pyridazin-4-amine (PubChem CID 117105029) has the molecular formula C8H10ClN3S and a molecular weight of 215.71 g/mol. Its IUPAC name is 3-chloro-6-(thiolan-3-yl)pyridazin-4-amine.

Molecular Properties

Compound Name3-chloro-6-(thiolan-3-yl)pyridazin-4-amine
PubChem CID117105029
Molecular FormulaC8H10ClN3S
Molecular Weight215.71 g/mol
Exact Mass215.03
IUPAC Name3-chloro-6-(thiolan-3-yl)pyridazin-4-amine
SMILESNc1cc(C2CCSC2)nnc1Cl
InChIInChI=1S/C8H10ClN3S/c9-8-6(10)3-7(11-12-8)5-1-2-13-4-5/h3,5H,1-2,4H2,(H2,10,11)
InChIKeyYVTTVRSFCUTAEX-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

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Related Compounds

3-Chloro-6-cyclopentylpyridazin-4-amine
CID 117127184
6-(5-Chloro-2-fluorophenyl)-3-(thiolan-2-yl)pyridazin-4-amine
CID 168985205
6-Chloro-3-cyclopropylpyridazin-4-amine
CID 165884816
3-Chloro-6-(cyclopentylmethylsulfanylmethyl)pyridazine
CID 104514382
3-(6-Chloropyridazin-3-yl)thiolane 1,1-dioxide
CID 117105009
3-Chloro-6-(1,1-dioxothiolan-3-yl)pyridazin-4-amine
CID 117105013
3-Chloro-6-(thiolan-3-yl)pyridazine
CID 117105025
6-(Thiolan-3-yl)pyridazin-4-amine
CID 117105026
6-(Thiolan-3-yl)pyridazine-3,4-diamine
CID 117105027
5-Chloro-3-(thiolan-3-yl)pyridazine
CID 117105030
4-Chloro-6-(thiolan-3-yl)pyridazin-3-amine
CID 117105031
3,4-Dichloro-6-(thiolan-3-yl)pyridazine
CID 117105033

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(thiolan-3-yl)pyridazin-4-amine?
The IUPAC name of 3-chloro-6-(thiolan-3-yl)pyridazin-4-amine (CID 117105029) is 3-chloro-6-(thiolan-3-yl)pyridazin-4-amine.
What is the SMILES notation for 3-chloro-6-(thiolan-3-yl)pyridazin-4-amine?
The canonical SMILES for 3-chloro-6-(thiolan-3-yl)pyridazin-4-amine is Nc1cc(C2CCSC2)nnc1Cl.
What is the InChIKey of 3-chloro-6-(thiolan-3-yl)pyridazin-4-amine?
The InChIKey is YVTTVRSFCUTAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3S/c9-8-6(10)3-7(11-12-8)5-1-2-13-4-5/h3,5H,1-2,4H2,(H2,10,11).
What are the key properties of 3-chloro-6-(thiolan-3-yl)pyridazin-4-amine?
3-chloro-6-(thiolan-3-yl)pyridazin-4-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 3-chloro-6-(thiolan-3-yl)pyridazin-4-amine is sourced from PubChem (CID 117105029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).