4-bromo-6-(thian-3-ylmethyl)pyridazin-3-amine

C10H14BrN3S — CID 117106269

IUPAC4-bromo-6-(thian-3-ylmethyl)pyridazin-3-amine
SMILESNc1nnc(CC2CCCSC2)cc1Br
InChIInChI=1S/C10H14BrN3S/c11-9-5-8(13-14-10(9)12)4-7-2-1-3-15-6-7/h5,7H,1-4,6H2,(H2,12,14)
InChIKeyFKGGJCFRIYAHLU-UHFFFAOYSA-N
MW288.21 g/mol
LogP2.51
Rot. Bonds2

About 4-bromo-6-(thian-3-ylmethyl)pyridazin-3-amine

4-bromo-6-(thian-3-ylmethyl)pyridazin-3-amine (PubChem CID 117106269) has the molecular formula C10H14BrN3S and a molecular weight of 288.21 g/mol. Its IUPAC name is 4-bromo-6-(thian-3-ylmethyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-bromo-6-(thian-3-ylmethyl)pyridazin-3-amine
PubChem CID117106269
Molecular FormulaC10H14BrN3S
Molecular Weight288.21 g/mol
Exact Mass287.01
IUPAC Name4-bromo-6-(thian-3-ylmethyl)pyridazin-3-amine
SMILESNc1nnc(CC2CCCSC2)cc1Br
InChIInChI=1S/C10H14BrN3S/c11-9-5-8(13-14-10(9)12)4-7-2-1-3-15-6-7/h5,7H,1-4,6H2,(H2,12,14)
InChIKeyFKGGJCFRIYAHLU-UHFFFAOYSA-N
XLogP2.51
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(thian-3-ylmethyl)pyridazin-3-amine?
The IUPAC name of 4-bromo-6-(thian-3-ylmethyl)pyridazin-3-amine (CID 117106269) is 4-bromo-6-(thian-3-ylmethyl)pyridazin-3-amine.
What is the SMILES notation for 4-bromo-6-(thian-3-ylmethyl)pyridazin-3-amine?
The canonical SMILES for 4-bromo-6-(thian-3-ylmethyl)pyridazin-3-amine is Nc1nnc(CC2CCCSC2)cc1Br.
What is the InChIKey of 4-bromo-6-(thian-3-ylmethyl)pyridazin-3-amine?
The InChIKey is FKGGJCFRIYAHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3S/c11-9-5-8(13-14-10(9)12)4-7-2-1-3-15-6-7/h5,7H,1-4,6H2,(H2,12,14).
What are the key properties of 4-bromo-6-(thian-3-ylmethyl)pyridazin-3-amine?
4-bromo-6-(thian-3-ylmethyl)pyridazin-3-amine has a molecular weight of 288.21 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(thian-3-ylmethyl)pyridazin-3-amine is sourced from PubChem (CID 117106269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).