6-(5-bromothiophen-2-yl)-N-methylpyridazin-3-amine

C9H8BrN3S — CID 62203714

IUPAC6-(5-bromothiophen-2-yl)-N-methylpyridazin-3-amine
SMILESCNc1ccc(-c2ccc(Br)s2)nn1
InChIInChI=1S/C9H8BrN3S/c1-11-9-5-2-6(12-13-9)7-3-4-8(10)14-7/h2-5H,1H3,(H,11,13)
InChIKeyZGSHSKVDCYBHLG-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.01
Rot. Bonds2

About 6-(5-bromothiophen-2-yl)-N-methylpyridazin-3-amine

6-(5-bromothiophen-2-yl)-N-methylpyridazin-3-amine (PubChem CID 62203714) has the molecular formula C9H8BrN3S and a molecular weight of 270.16 g/mol. Its IUPAC name is 6-(5-bromothiophen-2-yl)-N-methylpyridazin-3-amine.

Molecular Properties

Compound Name6-(5-bromothiophen-2-yl)-N-methylpyridazin-3-amine
PubChem CID62203714
Molecular FormulaC9H8BrN3S
Molecular Weight270.16 g/mol
Exact Mass268.96
IUPAC Name6-(5-bromothiophen-2-yl)-N-methylpyridazin-3-amine
SMILESCNc1ccc(-c2ccc(Br)s2)nn1
InChIInChI=1S/C9H8BrN3S/c1-11-9-5-2-6(12-13-9)7-3-4-8(10)14-7/h2-5H,1H3,(H,11,13)
InChIKeyZGSHSKVDCYBHLG-UHFFFAOYSA-N
XLogP3.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.01
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)-N-methylpyridazin-3-amine?
The IUPAC name of 6-(5-bromothiophen-2-yl)-N-methylpyridazin-3-amine (CID 62203714) is 6-(5-bromothiophen-2-yl)-N-methylpyridazin-3-amine.
What is the SMILES notation for 6-(5-bromothiophen-2-yl)-N-methylpyridazin-3-amine?
The canonical SMILES for 6-(5-bromothiophen-2-yl)-N-methylpyridazin-3-amine is CNc1ccc(-c2ccc(Br)s2)nn1.
What is the InChIKey of 6-(5-bromothiophen-2-yl)-N-methylpyridazin-3-amine?
The InChIKey is ZGSHSKVDCYBHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3S/c1-11-9-5-2-6(12-13-9)7-3-4-8(10)14-7/h2-5H,1H3,(H,11,13).
What are the key properties of 6-(5-bromothiophen-2-yl)-N-methylpyridazin-3-amine?
6-(5-bromothiophen-2-yl)-N-methylpyridazin-3-amine has a molecular weight of 270.16 g/mol, XLogP of 3.01, 2 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)-N-methylpyridazin-3-amine is sourced from PubChem (CID 62203714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).