2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylethanamine

C10H10BrN3S — CID 116833600

IUPAC2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylethanamine
SMILESNCC(c1cccnn1)c1cc(Br)cs1
InChIInChI=1S/C10H10BrN3S/c11-7-4-10(15-6-7)8(5-12)9-2-1-3-13-14-9/h1-4,6,8H,5,12H2
InChIKeyKBZUPTGDIITGRT-UHFFFAOYSA-N
MW284.18 g/mol
LogP2.39
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylethanamine

2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylethanamine (PubChem CID 116833600) has the molecular formula C10H10BrN3S and a molecular weight of 284.18 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylethanamine
PubChem CID116833600
Molecular FormulaC10H10BrN3S
Molecular Weight284.18 g/mol
Exact Mass282.98
IUPAC Name2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylethanamine
SMILESNCC(c1cccnn1)c1cc(Br)cs1
InChIInChI=1S/C10H10BrN3S/c11-7-4-10(15-6-7)8(5-12)9-2-1-3-13-14-9/h1-4,6,8H,5,12H2
InChIKeyKBZUPTGDIITGRT-UHFFFAOYSA-N
XLogP2.39
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylethanamine (CID 116833600) is 2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylethanamine is NCC(c1cccnn1)c1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylethanamine?
The InChIKey is KBZUPTGDIITGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3S/c11-7-4-10(15-6-7)8(5-12)9-2-1-3-13-14-9/h1-4,6,8H,5,12H2.
What are the key properties of 2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylethanamine?
2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylethanamine has a molecular weight of 284.18 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylethanamine is sourced from PubChem (CID 116833600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).