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

C8H10BrN3S — CID 117105035

IUPAC4-bromo-6-(thiolan-3-yl)pyridazin-3-amine
SMILESNc1nnc(C2CCSC2)cc1Br
InChIInChI=1S/C8H10BrN3S/c9-6-3-7(11-12-8(6)10)5-1-2-13-4-5/h3,5H,1-2,4H2,(H2,10,12)
InChIKeyPGTDXIDNLZHEDA-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.04
Rot. Bonds1

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

4-bromo-6-(thiolan-3-yl)pyridazin-3-amine (PubChem CID 117105035) has the molecular formula C8H10BrN3S and a molecular weight of 260.16 g/mol. Its IUPAC name is 4-bromo-6-(thiolan-3-yl)pyridazin-3-amine.

Molecular Properties

Compound Name4-bromo-6-(thiolan-3-yl)pyridazin-3-amine
PubChem CID117105035
Molecular FormulaC8H10BrN3S
Molecular Weight260.16 g/mol
Exact Mass258.98
IUPAC Name4-bromo-6-(thiolan-3-yl)pyridazin-3-amine
SMILESNc1nnc(C2CCSC2)cc1Br
InChIInChI=1S/C8H10BrN3S/c9-6-3-7(11-12-8(6)10)5-1-2-13-4-5/h3,5H,1-2,4H2,(H2,10,12)
InChIKeyPGTDXIDNLZHEDA-UHFFFAOYSA-N
XLogP2.04
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-Bromothiophen-3-yl)pyridazin-3-amine
CID 79602108
6-(4-Bromothiophen-2-yl)-4-methylpyridazin-3-amine
CID 84208137
6-(1,1-Dioxothiolan-3-yl)pyridazin-3-amine
CID 117105007
4-Bromo-6-(1,1-dioxothiolan-3-yl)pyridazin-3-amine
CID 117105019
6-(Thiolan-3-yl)pyridazin-3-amine
CID 117105023
6-(Thiolan-3-yl)pyridazine-3,4-diamine
CID 117105027
4-Chloro-6-(thiolan-3-yl)pyridazin-3-amine
CID 117105031
5-Bromo-3-(thiolan-3-yl)pyridazine
CID 117105034
4-Bromo-3-chloro-6-(thiolan-3-yl)pyridazine
CID 117105037
4-Bromo-6-(1,1-dioxothian-4-yl)pyridazin-3-amine
CID 117105156
6-(Thian-4-yl)pyridazin-3-amine
CID 117105160
4-Bromo-6-(thian-4-yl)pyridazin-3-amine
CID 117105172

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(thiolan-3-yl)pyridazin-3-amine?
The IUPAC name of 4-bromo-6-(thiolan-3-yl)pyridazin-3-amine (CID 117105035) is 4-bromo-6-(thiolan-3-yl)pyridazin-3-amine.
What is the SMILES notation for 4-bromo-6-(thiolan-3-yl)pyridazin-3-amine?
The canonical SMILES for 4-bromo-6-(thiolan-3-yl)pyridazin-3-amine is Nc1nnc(C2CCSC2)cc1Br.
What is the InChIKey of 4-bromo-6-(thiolan-3-yl)pyridazin-3-amine?
The InChIKey is PGTDXIDNLZHEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3S/c9-6-3-7(11-12-8(6)10)5-1-2-13-4-5/h3,5H,1-2,4H2,(H2,10,12).
What are the key properties of 4-bromo-6-(thiolan-3-yl)pyridazin-3-amine?
4-bromo-6-(thiolan-3-yl)pyridazin-3-amine has a molecular weight of 260.16 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(thiolan-3-yl)pyridazin-3-amine is sourced from PubChem (CID 117105035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).