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

C9H12BrN3S — CID 117105172

IUPAC4-bromo-6-(thian-4-yl)pyridazin-3-amine
SMILESNc1nnc(C2CCSCC2)cc1Br
InChIInChI=1S/C9H12BrN3S/c10-7-5-8(12-13-9(7)11)6-1-3-14-4-2-6/h5-6H,1-4H2,(H2,11,13)
InChIKeyFFNRBFQHZYIIIH-UHFFFAOYSA-N
MW274.19 g/mol
LogP2.43
Rot. Bonds1

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

4-bromo-6-(thian-4-yl)pyridazin-3-amine (PubChem CID 117105172) has the molecular formula C9H12BrN3S and a molecular weight of 274.19 g/mol. Its IUPAC name is 4-bromo-6-(thian-4-yl)pyridazin-3-amine.

Molecular Properties

Compound Name4-bromo-6-(thian-4-yl)pyridazin-3-amine
PubChem CID117105172
Molecular FormulaC9H12BrN3S
Molecular Weight274.19 g/mol
Exact Mass272.99
IUPAC Name4-bromo-6-(thian-4-yl)pyridazin-3-amine
SMILESNc1nnc(C2CCSCC2)cc1Br
InChIInChI=1S/C9H12BrN3S/c10-7-5-8(12-13-9(7)11)6-1-3-14-4-2-6/h5-6H,1-4H2,(H2,11,13)
InChIKeyFFNRBFQHZYIIIH-UHFFFAOYSA-N
XLogP2.43
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Bromo-6-phenylpyridazin-3-amine
CID 58386360
5H,7H,8H-thiopyrano[4,3-c]pyridazin-3-amine
CID 62784592
4-Bromo-6-(1,1-dioxothiolan-3-yl)pyridazin-3-amine
CID 117105019
6-(Thiolan-3-yl)pyridazin-3-amine
CID 117105023
4-Bromo-6-(thiolan-3-yl)pyridazin-3-amine
CID 117105035
6-(1,1-Dioxothian-4-yl)pyridazin-3-amine
CID 117105144
4-Bromo-6-(1,1-dioxothian-4-yl)pyridazin-3-amine
CID 117105156
6-(Thian-4-yl)pyridazin-3-amine
CID 117105160
6-(Thian-4-yl)pyridazine-3,4-diamine
CID 117105164
4-Chloro-6-(thian-4-yl)pyridazin-3-amine
CID 117105168
5-Bromo-3-(thian-4-yl)pyridazine
CID 117105171
4-Bromo-3-chloro-6-(thian-4-yl)pyridazine
CID 117105174

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(thian-4-yl)pyridazin-3-amine?
The IUPAC name of 4-bromo-6-(thian-4-yl)pyridazin-3-amine (CID 117105172) is 4-bromo-6-(thian-4-yl)pyridazin-3-amine.
What is the SMILES notation for 4-bromo-6-(thian-4-yl)pyridazin-3-amine?
The canonical SMILES for 4-bromo-6-(thian-4-yl)pyridazin-3-amine is Nc1nnc(C2CCSCC2)cc1Br.
What is the InChIKey of 4-bromo-6-(thian-4-yl)pyridazin-3-amine?
The InChIKey is FFNRBFQHZYIIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3S/c10-7-5-8(12-13-9(7)11)6-1-3-14-4-2-6/h5-6H,1-4H2,(H2,11,13).
What are the key properties of 4-bromo-6-(thian-4-yl)pyridazin-3-amine?
4-bromo-6-(thian-4-yl)pyridazin-3-amine has a molecular weight of 274.19 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(thian-4-yl)pyridazin-3-amine is sourced from PubChem (CID 117105172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).