6-(1-methylsulfanylpropyl)pyridazin-3-amine

C8H13N3S — CID 147484585

IUPAC6-(1-methylsulfanylpropyl)pyridazin-3-amine
SMILESCCC(SC)c1ccc(N)nn1
InChIInChI=1S/C8H13N3S/c1-3-7(12-2)6-4-5-8(9)11-10-6/h4-5,7H,3H2,1-2H3,(H2,9,11)
InChIKeyFEIAVQWUBLQFRW-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.87
Rot. Bonds3

About 6-(1-methylsulfanylpropyl)pyridazin-3-amine

6-(1-methylsulfanylpropyl)pyridazin-3-amine (PubChem CID 147484585) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 6-(1-methylsulfanylpropyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(1-methylsulfanylpropyl)pyridazin-3-amine
PubChem CID147484585
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name6-(1-methylsulfanylpropyl)pyridazin-3-amine
SMILESCCC(SC)c1ccc(N)nn1
InChIInChI=1S/C8H13N3S/c1-3-7(12-2)6-4-5-8(9)11-10-6/h4-5,7H,3H2,1-2H3,(H2,9,11)
InChIKeyFEIAVQWUBLQFRW-UHFFFAOYSA-N
XLogP1.87
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylsulfanylpropyl)pyridazin-3-amine?
The IUPAC name of 6-(1-methylsulfanylpropyl)pyridazin-3-amine (CID 147484585) is 6-(1-methylsulfanylpropyl)pyridazin-3-amine.
What is the SMILES notation for 6-(1-methylsulfanylpropyl)pyridazin-3-amine?
The canonical SMILES for 6-(1-methylsulfanylpropyl)pyridazin-3-amine is CCC(SC)c1ccc(N)nn1.
What is the InChIKey of 6-(1-methylsulfanylpropyl)pyridazin-3-amine?
The InChIKey is FEIAVQWUBLQFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-3-7(12-2)6-4-5-8(9)11-10-6/h4-5,7H,3H2,1-2H3,(H2,9,11).
What are the key properties of 6-(1-methylsulfanylpropyl)pyridazin-3-amine?
6-(1-methylsulfanylpropyl)pyridazin-3-amine has a molecular weight of 183.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylsulfanylpropyl)pyridazin-3-amine is sourced from PubChem (CID 147484585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).