3-[6-(3,4-difluorophenyl)pyridazin-3-yl]propan-1-amine

C13H13F2N3 — CID 69106663

IUPAC3-[6-(3,4-difluorophenyl)pyridazin-3-yl]propan-1-amine
SMILESNCCCc1ccc(-c2ccc(F)c(F)c2)nn1
InChIInChI=1S/C13H13F2N3/c14-11-5-3-9(8-12(11)15)13-6-4-10(17-18-13)2-1-7-16/h3-6,8H,1-2,7,16H2
InChIKeyKWYCNWURJSITGL-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.31
Rot. Bonds4

About 3-[6-(3,4-difluorophenyl)pyridazin-3-yl]propan-1-amine

3-[6-(3,4-difluorophenyl)pyridazin-3-yl]propan-1-amine (PubChem CID 69106663) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is 3-[6-(3,4-difluorophenyl)pyridazin-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[6-(3,4-difluorophenyl)pyridazin-3-yl]propan-1-amine
PubChem CID69106663
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC Name3-[6-(3,4-difluorophenyl)pyridazin-3-yl]propan-1-amine
SMILESNCCCc1ccc(-c2ccc(F)c(F)c2)nn1
InChIInChI=1S/C13H13F2N3/c14-11-5-3-9(8-12(11)15)13-6-4-10(17-18-13)2-1-7-16/h3-6,8H,1-2,7,16H2
InChIKeyKWYCNWURJSITGL-UHFFFAOYSA-N
XLogP2.31
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(3,4-difluorophenyl)pyridazin-3-yl]propan-1-amine?
The IUPAC name of 3-[6-(3,4-difluorophenyl)pyridazin-3-yl]propan-1-amine (CID 69106663) is 3-[6-(3,4-difluorophenyl)pyridazin-3-yl]propan-1-amine.
What is the SMILES notation for 3-[6-(3,4-difluorophenyl)pyridazin-3-yl]propan-1-amine?
The canonical SMILES for 3-[6-(3,4-difluorophenyl)pyridazin-3-yl]propan-1-amine is NCCCc1ccc(-c2ccc(F)c(F)c2)nn1.
What is the InChIKey of 3-[6-(3,4-difluorophenyl)pyridazin-3-yl]propan-1-amine?
The InChIKey is KWYCNWURJSITGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c14-11-5-3-9(8-12(11)15)13-6-4-10(17-18-13)2-1-7-16/h3-6,8H,1-2,7,16H2.
What are the key properties of 3-[6-(3,4-difluorophenyl)pyridazin-3-yl]propan-1-amine?
3-[6-(3,4-difluorophenyl)pyridazin-3-yl]propan-1-amine has a molecular weight of 249.26 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3,4-difluorophenyl)pyridazin-3-yl]propan-1-amine is sourced from PubChem (CID 69106663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).