6-(5-bromothiophen-2-yl)pyridazin-3-amine

C8H6BrN3S — CID 62202321

IUPAC6-(5-bromothiophen-2-yl)pyridazin-3-amine
SMILESNc1ccc(-c2ccc(Br)s2)nn1
InChIInChI=1S/C8H6BrN3S/c9-7-3-2-6(13-7)5-1-4-8(10)12-11-5/h1-4H,(H2,10,12)
InChIKeyAFRBAPJZZUACDD-UHFFFAOYSA-N
MW256.13 g/mol
LogP2.55
Rot. Bonds1

About 6-(5-bromothiophen-2-yl)pyridazin-3-amine

6-(5-bromothiophen-2-yl)pyridazin-3-amine (PubChem CID 62202321) has the molecular formula C8H6BrN3S and a molecular weight of 256.13 g/mol. Its IUPAC name is 6-(5-bromothiophen-2-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(5-bromothiophen-2-yl)pyridazin-3-amine
PubChem CID62202321
Molecular FormulaC8H6BrN3S
Molecular Weight256.13 g/mol
Exact Mass254.95
IUPAC Name6-(5-bromothiophen-2-yl)pyridazin-3-amine
SMILESNc1ccc(-c2ccc(Br)s2)nn1
InChIInChI=1S/C8H6BrN3S/c9-7-3-2-6(13-7)5-1-4-8(10)12-11-5/h1-4H,(H2,10,12)
InChIKeyAFRBAPJZZUACDD-UHFFFAOYSA-N
XLogP2.55
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-bromothiophen-2-yl)pyridazin-3-amine?
The IUPAC name of 6-(5-bromothiophen-2-yl)pyridazin-3-amine (CID 62202321) is 6-(5-bromothiophen-2-yl)pyridazin-3-amine.
What is the SMILES notation for 6-(5-bromothiophen-2-yl)pyridazin-3-amine?
The canonical SMILES for 6-(5-bromothiophen-2-yl)pyridazin-3-amine is Nc1ccc(-c2ccc(Br)s2)nn1.
What is the InChIKey of 6-(5-bromothiophen-2-yl)pyridazin-3-amine?
The InChIKey is AFRBAPJZZUACDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3S/c9-7-3-2-6(13-7)5-1-4-8(10)12-11-5/h1-4H,(H2,10,12).
What are the key properties of 6-(5-bromothiophen-2-yl)pyridazin-3-amine?
6-(5-bromothiophen-2-yl)pyridazin-3-amine has a molecular weight of 256.13 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromothiophen-2-yl)pyridazin-3-amine is sourced from PubChem (CID 62202321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).