1-(4-aminopyridazin-3-yl)ethanethiol

C6H9N3S — CID 134574940

IUPAC1-(4-aminopyridazin-3-yl)ethanethiol
SMILESCC(S)c1nnccc1N
InChIInChI=1S/C6H9N3S/c1-4(10)6-5(7)2-3-8-9-6/h2-4,10H,1H3,(H2,7,8)
InChIKeyURMZCRKPDASKGR-UHFFFAOYSA-N
MW155.23 g/mol
LogP1.05
Rot. Bonds1

About 1-(4-aminopyridazin-3-yl)ethanethiol

1-(4-aminopyridazin-3-yl)ethanethiol (PubChem CID 134574940) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is 1-(4-aminopyridazin-3-yl)ethanethiol.

Molecular Properties

Compound Name1-(4-aminopyridazin-3-yl)ethanethiol
PubChem CID134574940
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Name1-(4-aminopyridazin-3-yl)ethanethiol
SMILESCC(S)c1nnccc1N
InChIInChI=1S/C6H9N3S/c1-4(10)6-5(7)2-3-8-9-6/h2-4,10H,1H3,(H2,7,8)
InChIKeyURMZCRKPDASKGR-UHFFFAOYSA-N
XLogP1.05
TPSA51.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Pyridazine-3-carbothioamide
CID 44119199
1-(Pyridazin-3-yl)ethan-1-amine
CID 69035378
3-Methylpyridazin-4-amine hydrochloride
CID 71758406
6-Methylpyridazin-4-amine hydrochloride
CID 117100405
6-(Trifluoromethyl)pyridazin-4-amine
CID 117127087
3,6-Dimethylpyridazin-4-amine
CID 252956
5-Aminopyridazine-3-carbonitrile
CID 131288366
4-Aminopyridazine-3-carbonitrile
CID 6415966
3-Mercaptomethylpyridazine
CID 18411569
Pyridazinodiazepine
CID 66823966
3-Methylpyridazin-4-amine
CID 54075962
6-Methylpyridazin-4-amine
CID 55281170

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyridazin-3-yl)ethanethiol?
The IUPAC name of 1-(4-aminopyridazin-3-yl)ethanethiol (CID 134574940) is 1-(4-aminopyridazin-3-yl)ethanethiol.
What is the SMILES notation for 1-(4-aminopyridazin-3-yl)ethanethiol?
The canonical SMILES for 1-(4-aminopyridazin-3-yl)ethanethiol is CC(S)c1nnccc1N.
What is the InChIKey of 1-(4-aminopyridazin-3-yl)ethanethiol?
The InChIKey is URMZCRKPDASKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c1-4(10)6-5(7)2-3-8-9-6/h2-4,10H,1H3,(H2,7,8).
What are the key properties of 1-(4-aminopyridazin-3-yl)ethanethiol?
1-(4-aminopyridazin-3-yl)ethanethiol has a molecular weight of 155.23 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyridazin-3-yl)ethanethiol is sourced from PubChem (CID 134574940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).