6-(thiolan-3-yl)pyridazine-3,4-diamine

C8H12N4S — CID 117105027

IUPAC6-(thiolan-3-yl)pyridazine-3,4-diamine
SMILESNc1cc(C2CCSC2)nnc1N
InChIInChI=1S/C8H12N4S/c9-6-3-7(11-12-8(6)10)5-1-2-13-4-5/h3,5H,1-2,4H2,(H2,9,11)(H2,10,12)
InChIKeyWHFVUIHXHYMSPW-UHFFFAOYSA-N
MW196.28 g/mol
LogP0.86
Rot. Bonds1

About 6-(thiolan-3-yl)pyridazine-3,4-diamine

6-(thiolan-3-yl)pyridazine-3,4-diamine (PubChem CID 117105027) has the molecular formula C8H12N4S and a molecular weight of 196.28 g/mol. Its IUPAC name is 6-(thiolan-3-yl)pyridazine-3,4-diamine.

Molecular Properties

Compound Name6-(thiolan-3-yl)pyridazine-3,4-diamine
PubChem CID117105027
Molecular FormulaC8H12N4S
Molecular Weight196.28 g/mol
Exact Mass196.08
IUPAC Name6-(thiolan-3-yl)pyridazine-3,4-diamine
SMILESNc1cc(C2CCSC2)nnc1N
InChIInChI=1S/C8H12N4S/c9-6-3-7(11-12-8(6)10)5-1-2-13-4-5/h3,5H,1-2,4H2,(H2,9,11)(H2,10,12)
InChIKeyWHFVUIHXHYMSPW-UHFFFAOYSA-N
XLogP0.86
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-Cyclopentylpyridazine-3,4-diamine
CID 117107200
6-(1-Methylsulfanylpropyl)pyridazin-3-amine
CID 147484585
6-(1,1-Dioxothiolan-3-yl)pyridazin-3-amine
CID 117105007
6-(1,1-Dioxothiolan-3-yl)pyridazine-3,4-diamine
CID 117105011
6-(Thiolan-3-yl)pyridazin-3-amine
CID 117105023
6-(Thiolan-3-yl)pyridazin-4-amine
CID 117105026
3-Chloro-6-(thiolan-3-yl)pyridazin-4-amine
CID 117105029
4-Chloro-6-(thiolan-3-yl)pyridazin-3-amine
CID 117105031
4-Bromo-6-(thiolan-3-yl)pyridazin-3-amine
CID 117105035
6-Pyrrolidin-3-ylpyridazine-3,4-diamine
CID 117105046
6-(1-Methylpyrrolidin-3-yl)pyridazine-3,4-diamine
CID 117105047
6-(1-Ethylpyrrolidin-3-yl)pyridazine-3,4-diamine
CID 117105078

Frequently Asked Questions

What is the IUPAC name of 6-(thiolan-3-yl)pyridazine-3,4-diamine?
The IUPAC name of 6-(thiolan-3-yl)pyridazine-3,4-diamine (CID 117105027) is 6-(thiolan-3-yl)pyridazine-3,4-diamine.
What is the SMILES notation for 6-(thiolan-3-yl)pyridazine-3,4-diamine?
The canonical SMILES for 6-(thiolan-3-yl)pyridazine-3,4-diamine is Nc1cc(C2CCSC2)nnc1N.
What is the InChIKey of 6-(thiolan-3-yl)pyridazine-3,4-diamine?
The InChIKey is WHFVUIHXHYMSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4S/c9-6-3-7(11-12-8(6)10)5-1-2-13-4-5/h3,5H,1-2,4H2,(H2,9,11)(H2,10,12).
What are the key properties of 6-(thiolan-3-yl)pyridazine-3,4-diamine?
6-(thiolan-3-yl)pyridazine-3,4-diamine has a molecular weight of 196.28 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(thiolan-3-yl)pyridazine-3,4-diamine is sourced from PubChem (CID 117105027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).