3-(1-aminoethyl)-1-(3,4-difluorophenyl)-6-methylpyridazin-4-one

C13H13F2N3O — CID 82420972

IUPAC3-(1-aminoethyl)-1-(3,4-difluorophenyl)-6-methylpyridazin-4-one
SMILESCc1cc(=O)c(C(C)N)nn1-c1ccc(F)c(F)c1
InChIInChI=1S/C13H13F2N3O/c1-7-5-12(19)13(8(2)16)17-18(7)9-3-4-10(14)11(15)6-9/h3-6,8H,16H2,1-2H3
InChIKeyQNPRVLWTUWXKRH-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.84
Rot. Bonds2

About 3-(1-aminoethyl)-1-(3,4-difluorophenyl)-6-methylpyridazin-4-one

3-(1-aminoethyl)-1-(3,4-difluorophenyl)-6-methylpyridazin-4-one (PubChem CID 82420972) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 3-(1-aminoethyl)-1-(3,4-difluorophenyl)-6-methylpyridazin-4-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-1-(3,4-difluorophenyl)-6-methylpyridazin-4-one
PubChem CID82420972
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name3-(1-aminoethyl)-1-(3,4-difluorophenyl)-6-methylpyridazin-4-one
SMILESCc1cc(=O)c(C(C)N)nn1-c1ccc(F)c(F)c1
InChIInChI=1S/C13H13F2N3O/c1-7-5-12(19)13(8(2)16)17-18(7)9-3-4-10(14)11(15)6-9/h3-6,8H,16H2,1-2H3
InChIKeyQNPRVLWTUWXKRH-UHFFFAOYSA-N
XLogP1.84
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-aminoethyl)-1-(3,4-difluorophenyl)-6-methylpyridazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-1-(3,4-difluorophenyl)-6-methylpyridazin-4-one?
The IUPAC name of 3-(1-aminoethyl)-1-(3,4-difluorophenyl)-6-methylpyridazin-4-one (CID 82420972) is 3-(1-aminoethyl)-1-(3,4-difluorophenyl)-6-methylpyridazin-4-one.
What is the SMILES notation for 3-(1-aminoethyl)-1-(3,4-difluorophenyl)-6-methylpyridazin-4-one?
The canonical SMILES for 3-(1-aminoethyl)-1-(3,4-difluorophenyl)-6-methylpyridazin-4-one is Cc1cc(=O)c(C(C)N)nn1-c1ccc(F)c(F)c1.
What is the InChIKey of 3-(1-aminoethyl)-1-(3,4-difluorophenyl)-6-methylpyridazin-4-one?
The InChIKey is QNPRVLWTUWXKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-7-5-12(19)13(8(2)16)17-18(7)9-3-4-10(14)11(15)6-9/h3-6,8H,16H2,1-2H3.
What are the key properties of 3-(1-aminoethyl)-1-(3,4-difluorophenyl)-6-methylpyridazin-4-one?
3-(1-aminoethyl)-1-(3,4-difluorophenyl)-6-methylpyridazin-4-one has a molecular weight of 265.26 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-1-(3,4-difluorophenyl)-6-methylpyridazin-4-one is sourced from PubChem (CID 82420972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).