3-(aminomethyl)-1-(4-fluorophenyl)-6-methylpyridazin-4-one

C12H12FN3O — CID 82421897

IUPAC3-(aminomethyl)-1-(4-fluorophenyl)-6-methylpyridazin-4-one
SMILESCc1cc(=O)c(CN)nn1-c1ccc(F)cc1
InChIInChI=1S/C12H12FN3O/c1-8-6-12(17)11(7-14)15-16(8)10-4-2-9(13)3-5-10/h2-6H,7,14H2,1H3
InChIKeyVRZXGJGRMNUTTG-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.14
Rot. Bonds2

About 3-(aminomethyl)-1-(4-fluorophenyl)-6-methylpyridazin-4-one

3-(aminomethyl)-1-(4-fluorophenyl)-6-methylpyridazin-4-one (PubChem CID 82421897) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(4-fluorophenyl)-6-methylpyridazin-4-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(4-fluorophenyl)-6-methylpyridazin-4-one
PubChem CID82421897
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name3-(aminomethyl)-1-(4-fluorophenyl)-6-methylpyridazin-4-one
SMILESCc1cc(=O)c(CN)nn1-c1ccc(F)cc1
InChIInChI=1S/C12H12FN3O/c1-8-6-12(17)11(7-14)15-16(8)10-4-2-9(13)3-5-10/h2-6H,7,14H2,1H3
InChIKeyVRZXGJGRMNUTTG-UHFFFAOYSA-N
XLogP1.14
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-1-(4-bromophenyl)-6-methylpyridazin-4-one
CID 82419304
3-(aminomethyl)-1-(2,4-difluorophenyl)-6-methylpyridazin-4-one
CID 82421541
3-(aminomethyl)-1-(4-ethoxyphenyl)-6-methylpyridazin-4-one
CID 82420041
3-(aminomethyl)-1-(2,6-dimethylphenyl)-6-methylpyridazin-4-one
CID 82420285
3-(hydroxymethyl)-6-methyl-1-(4-methylphenyl)pyridazin-4-one
CID 82419138
3-(aminomethyl)-1-(2,4-dichlorophenyl)-6-methylpyridazin-4-one
CID 82419280
6-methyl-3-(sulfanylmethyl)-1-[4-(trifluoromethyl)phenyl]pyridazin-4-one
CID 82421471
1-(3-chloro-4-fluorophenyl)-3-(chloromethyl)-6-methylpyridazin-4-one
CID 82420490
[1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine
CID 116818515
2-(4-fluorophenyl)-6-(hydroxymethyl)-5-methylpyridazin-3-one
CID 118914991
2-[6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridazin-3-yl]acetic acid
CID 82421430
3-(6-methyl-4-oxo-1-phenylpyridazin-3-yl)propanoic acid
CID 82419815

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(4-fluorophenyl)-6-methylpyridazin-4-one?
The IUPAC name of 3-(aminomethyl)-1-(4-fluorophenyl)-6-methylpyridazin-4-one (CID 82421897) is 3-(aminomethyl)-1-(4-fluorophenyl)-6-methylpyridazin-4-one.
What is the SMILES notation for 3-(aminomethyl)-1-(4-fluorophenyl)-6-methylpyridazin-4-one?
The canonical SMILES for 3-(aminomethyl)-1-(4-fluorophenyl)-6-methylpyridazin-4-one is Cc1cc(=O)c(CN)nn1-c1ccc(F)cc1.
What is the InChIKey of 3-(aminomethyl)-1-(4-fluorophenyl)-6-methylpyridazin-4-one?
The InChIKey is VRZXGJGRMNUTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-8-6-12(17)11(7-14)15-16(8)10-4-2-9(13)3-5-10/h2-6H,7,14H2,1H3.
What are the key properties of 3-(aminomethyl)-1-(4-fluorophenyl)-6-methylpyridazin-4-one?
3-(aminomethyl)-1-(4-fluorophenyl)-6-methylpyridazin-4-one has a molecular weight of 233.25 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(4-fluorophenyl)-6-methylpyridazin-4-one is sourced from PubChem (CID 82421897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).