3-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-methylamino]propan-1-ol

C12H14BrN3OS — CID 116973668

IUPAC3-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-methylamino]propan-1-ol
SMILESCN(CCCO)c1ccc(-c2ccc(Br)s2)nn1
InChIInChI=1S/C12H14BrN3OS/c1-16(7-2-8-17)12-6-3-9(14-15-12)10-4-5-11(13)18-10/h3-6,17H,2,7-8H2,1H3
InChIKeyJLHVNXQRNFQGAF-UHFFFAOYSA-N
MW328.24 g/mol
LogP2.79
Rot. Bonds5

About 3-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-methylamino]propan-1-ol

3-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-methylamino]propan-1-ol (PubChem CID 116973668) has the molecular formula C12H14BrN3OS and a molecular weight of 328.24 g/mol. Its IUPAC name is 3-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-methylamino]propan-1-ol
PubChem CID116973668
Molecular FormulaC12H14BrN3OS
Molecular Weight328.24 g/mol
Exact Mass327.00
IUPAC Name3-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-methylamino]propan-1-ol
SMILESCN(CCCO)c1ccc(-c2ccc(Br)s2)nn1
InChIInChI=1S/C12H14BrN3OS/c1-16(7-2-8-17)12-6-3-9(14-15-12)10-4-5-11(13)18-10/h3-6,17H,2,7-8H2,1H3
InChIKeyJLHVNXQRNFQGAF-UHFFFAOYSA-N
XLogP2.79
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-methylamino]propan-1-ol?
The IUPAC name of 3-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-methylamino]propan-1-ol (CID 116973668) is 3-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-methylamino]propan-1-ol.
What is the SMILES notation for 3-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-methylamino]propan-1-ol?
The canonical SMILES for 3-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-methylamino]propan-1-ol is CN(CCCO)c1ccc(-c2ccc(Br)s2)nn1.
What is the InChIKey of 3-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-methylamino]propan-1-ol?
The InChIKey is JLHVNXQRNFQGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3OS/c1-16(7-2-8-17)12-6-3-9(14-15-12)10-4-5-11(13)18-10/h3-6,17H,2,7-8H2,1H3.
What are the key properties of 3-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-methylamino]propan-1-ol?
3-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-methylamino]propan-1-ol has a molecular weight of 328.24 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-methylamino]propan-1-ol is sourced from PubChem (CID 116973668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).