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

C8H11N3S — CID 117105026

IUPAC6-(thiolan-3-yl)pyridazin-4-amine
SMILESNc1cnnc(C2CCSC2)c1
InChIInChI=1S/C8H11N3S/c9-7-3-8(11-10-4-7)6-1-2-12-5-6/h3-4,6H,1-2,5H2,(H2,9,11)
InChIKeyFQSSAXQTKZOSGZ-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.28
Rot. Bonds1

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

6-(thiolan-3-yl)pyridazin-4-amine (PubChem CID 117105026) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 6-(thiolan-3-yl)pyridazin-4-amine.

Molecular Properties

Compound Name6-(thiolan-3-yl)pyridazin-4-amine
PubChem CID117105026
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name6-(thiolan-3-yl)pyridazin-4-amine
SMILESNc1cnnc(C2CCSC2)c1
InChIInChI=1S/C8H11N3S/c9-7-3-8(11-10-4-7)6-1-2-12-5-6/h3-4,6H,1-2,5H2,(H2,9,11)
InChIKeyFQSSAXQTKZOSGZ-UHFFFAOYSA-N
XLogP1.28
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Pyridazin-3-yl)-tetrahydrothiophen
CID 13720667
3-Pyridazin-3-ylpent-4-enethioamide
CID 88789122
5-(2-methylsulfanyl-1-phenylethyl)-1H-pyrazol-4-amine
CID 90037746
6-(2-Methylpropyl)pyridazin-4-amine
CID 117127116
6-Tert-butylpyridazin-4-amine
CID 117127127
6-Cyclopropylpyridazin-4-amine
CID 117127176
5-(benzylsulfanylmethyl)-1H-pyrazol-4-amine;hydrochloride
CID 122673410
3-Propan-2-ylpyridazin-4-amine
CID 126670512
3-Butan-2-ylpyridazin-4-amine
CID 134560652
1-(4-Aminopyridazin-3-yl)ethanethiol
CID 134574940
N-(6-propan-2-ylpyridazin-4-yl)methanesulfonamide
CID 153291166
3-Cyclopropylpyridazin-4-amine
CID 168200251

Frequently Asked Questions

What is the IUPAC name of 6-(thiolan-3-yl)pyridazin-4-amine?
The IUPAC name of 6-(thiolan-3-yl)pyridazin-4-amine (CID 117105026) is 6-(thiolan-3-yl)pyridazin-4-amine.
What is the SMILES notation for 6-(thiolan-3-yl)pyridazin-4-amine?
The canonical SMILES for 6-(thiolan-3-yl)pyridazin-4-amine is Nc1cnnc(C2CCSC2)c1.
What is the InChIKey of 6-(thiolan-3-yl)pyridazin-4-amine?
The InChIKey is FQSSAXQTKZOSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c9-7-3-8(11-10-4-7)6-1-2-12-5-6/h3-4,6H,1-2,5H2,(H2,9,11).
What are the key properties of 6-(thiolan-3-yl)pyridazin-4-amine?
6-(thiolan-3-yl)pyridazin-4-amine has a molecular weight of 181.26 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(thiolan-3-yl)pyridazin-4-amine is sourced from PubChem (CID 117105026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).