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

C9H14N4S — CID 117105573

IUPAC6-(thian-3-yl)pyridazine-3,4-diamine
SMILESNc1cc(C2CCCSC2)nnc1N
InChIInChI=1S/C9H14N4S/c10-7-4-8(12-13-9(7)11)6-2-1-3-14-5-6/h4,6H,1-3,5H2,(H2,10,12)(H2,11,13)
InChIKeyQNMZEQUYVGWSGF-UHFFFAOYSA-N
MW210.31 g/mol
LogP1.25
Rot. Bonds1

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

6-(thian-3-yl)pyridazine-3,4-diamine (PubChem CID 117105573) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is 6-(thian-3-yl)pyridazine-3,4-diamine.

Molecular Properties

Compound Name6-(thian-3-yl)pyridazine-3,4-diamine
PubChem CID117105573
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Name6-(thian-3-yl)pyridazine-3,4-diamine
SMILESNc1cc(C2CCCSC2)nnc1N
InChIInChI=1S/C9H14N4S/c10-7-4-8(12-13-9(7)11)6-2-1-3-14-5-6/h4,6H,1-3,5H2,(H2,10,12)(H2,11,13)
InChIKeyQNMZEQUYVGWSGF-UHFFFAOYSA-N
XLogP1.25
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(thian-4-yl)pyridazine-3,4-diamine
CID 117105164
6-(thian-3-ylmethyl)pyridazine-3,4-diamine
CID 117106261
6-(1-methylpiperidin-3-yl)pyridazine-3,4-diamine
CID 117105593
4-bromo-6-(thian-3-ylmethyl)pyridazin-3-amine
CID 117106269
2-cyclopentyl-4-(thian-3-yl)-1,3-thiazol-5-amine
CID 114283153
2-(azetidin-3-yl)-4-(thian-3-yl)-1,3-thiazole
CID 115043922
3-(thian-3-yl)imidazol-4-amine
CID 84732553
6-cyclobutyl-3-methoxypyridazin-4-amine
CID 117127031
6-(1-ethylpiperidin-2-yl)pyridazine-3,4-diamine
CID 117105899
3-methyl-4-(thian-3-yl)-1,2-oxazol-5-amine
CID 105451723
[2-(thian-3-yl)-1,3-thiazol-5-yl]methanol
CID 115090327
2-ethyl-4-(thian-3-yl)furan
CID 57116604

Frequently Asked Questions

What is the IUPAC name of 6-(thian-3-yl)pyridazine-3,4-diamine?
The IUPAC name of 6-(thian-3-yl)pyridazine-3,4-diamine (CID 117105573) is 6-(thian-3-yl)pyridazine-3,4-diamine.
What is the SMILES notation for 6-(thian-3-yl)pyridazine-3,4-diamine?
The canonical SMILES for 6-(thian-3-yl)pyridazine-3,4-diamine is Nc1cc(C2CCCSC2)nnc1N.
What is the InChIKey of 6-(thian-3-yl)pyridazine-3,4-diamine?
The InChIKey is QNMZEQUYVGWSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c10-7-4-8(12-13-9(7)11)6-2-1-3-14-5-6/h4,6H,1-3,5H2,(H2,10,12)(H2,11,13).
What are the key properties of 6-(thian-3-yl)pyridazine-3,4-diamine?
6-(thian-3-yl)pyridazine-3,4-diamine has a molecular weight of 210.31 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(thian-3-yl)pyridazine-3,4-diamine is sourced from PubChem (CID 117105573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).