3-(aminomethyl)-1-(2,4-difluorophenyl)-6-methylpyridazin-4-one

C12H11F2N3O — CID 82421541

IUPAC3-(aminomethyl)-1-(2,4-difluorophenyl)-6-methylpyridazin-4-one
SMILESCc1cc(=O)c(CN)nn1-c1ccc(F)cc1F
InChIInChI=1S/C12H11F2N3O/c1-7-4-12(18)10(6-15)16-17(7)11-3-2-8(13)5-9(11)14/h2-5H,6,15H2,1H3
InChIKeyIZSOGYFUQUEJPI-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.28
Rot. Bonds2

About 3-(aminomethyl)-1-(2,4-difluorophenyl)-6-methylpyridazin-4-one

3-(aminomethyl)-1-(2,4-difluorophenyl)-6-methylpyridazin-4-one (PubChem CID 82421541) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(2,4-difluorophenyl)-6-methylpyridazin-4-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(2,4-difluorophenyl)-6-methylpyridazin-4-one
PubChem CID82421541
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name3-(aminomethyl)-1-(2,4-difluorophenyl)-6-methylpyridazin-4-one
SMILESCc1cc(=O)c(CN)nn1-c1ccc(F)cc1F
InChIInChI=1S/C12H11F2N3O/c1-7-4-12(18)10(6-15)16-17(7)11-3-2-8(13)5-9(11)14/h2-5H,6,15H2,1H3
InChIKeyIZSOGYFUQUEJPI-UHFFFAOYSA-N
XLogP1.28
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(2,4-difluorophenyl)-6-methylpyridazin-4-one?
The IUPAC name of 3-(aminomethyl)-1-(2,4-difluorophenyl)-6-methylpyridazin-4-one (CID 82421541) is 3-(aminomethyl)-1-(2,4-difluorophenyl)-6-methylpyridazin-4-one.
What is the SMILES notation for 3-(aminomethyl)-1-(2,4-difluorophenyl)-6-methylpyridazin-4-one?
The canonical SMILES for 3-(aminomethyl)-1-(2,4-difluorophenyl)-6-methylpyridazin-4-one is Cc1cc(=O)c(CN)nn1-c1ccc(F)cc1F.
What is the InChIKey of 3-(aminomethyl)-1-(2,4-difluorophenyl)-6-methylpyridazin-4-one?
The InChIKey is IZSOGYFUQUEJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c1-7-4-12(18)10(6-15)16-17(7)11-3-2-8(13)5-9(11)14/h2-5H,6,15H2,1H3.
What are the key properties of 3-(aminomethyl)-1-(2,4-difluorophenyl)-6-methylpyridazin-4-one?
3-(aminomethyl)-1-(2,4-difluorophenyl)-6-methylpyridazin-4-one has a molecular weight of 251.24 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(2,4-difluorophenyl)-6-methylpyridazin-4-one is sourced from PubChem (CID 82421541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).