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

C14H17N3O — CID 82420285

IUPAC3-(aminomethyl)-1-(2,6-dimethylphenyl)-6-methylpyridazin-4-one
SMILESCc1cccc(C)c1-n1nc(CN)c(=O)cc1C
InChIInChI=1S/C14H17N3O/c1-9-5-4-6-10(2)14(9)17-11(3)7-13(18)12(8-15)16-17/h4-7H,8,15H2,1-3H3
InChIKeyJOGXLAYMWJQLDQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.62
Rot. Bonds2

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

3-(aminomethyl)-1-(2,6-dimethylphenyl)-6-methylpyridazin-4-one (PubChem CID 82420285) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(2,6-dimethylphenyl)-6-methylpyridazin-4-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(2,6-dimethylphenyl)-6-methylpyridazin-4-one
PubChem CID82420285
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(aminomethyl)-1-(2,6-dimethylphenyl)-6-methylpyridazin-4-one
SMILESCc1cccc(C)c1-n1nc(CN)c(=O)cc1C
InChIInChI=1S/C14H17N3O/c1-9-5-4-6-10(2)14(9)17-11(3)7-13(18)12(8-15)16-17/h4-7H,8,15H2,1-3H3
InChIKeyJOGXLAYMWJQLDQ-UHFFFAOYSA-N
XLogP1.62
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.62
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
1-(2,6-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-6-methylpyridazin-4-one
CID 82420277
3-(aminomethyl)-1-(4-fluorophenyl)-6-methylpyridazin-4-one
CID 82421897
1-(2,6-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carbothioamide
CID 82420278
3-(aminomethyl)-1-(2,4-dichlorophenyl)-6-methylpyridazin-4-one
CID 82419280
3-(aminomethyl)-1-(2,4-difluorophenyl)-6-methylpyridazin-4-one
CID 82421541
3-(aminomethyl)-1-(4-ethoxyphenyl)-6-methylpyridazin-4-one
CID 82420041
3-(hydroxymethyl)-6-methyl-1-(2-methylphenyl)pyridazin-4-one
CID 82419602
1-(2,6-dimethylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82081789
1-(2,3-dimethylphenyl)-6-methyl-3-(methylaminomethyl)pyridazin-4-one
CID 82419961
3-amino-6-methyl-1-(2,4,6-trimethylphenyl)pyridazin-4-one
CID 82467314
6-(aminomethyl)-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one
CID 82420094

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(2,6-dimethylphenyl)-6-methylpyridazin-4-one?
The IUPAC name of 3-(aminomethyl)-1-(2,6-dimethylphenyl)-6-methylpyridazin-4-one (CID 82420285) is 3-(aminomethyl)-1-(2,6-dimethylphenyl)-6-methylpyridazin-4-one.
What is the SMILES notation for 3-(aminomethyl)-1-(2,6-dimethylphenyl)-6-methylpyridazin-4-one?
The canonical SMILES for 3-(aminomethyl)-1-(2,6-dimethylphenyl)-6-methylpyridazin-4-one is Cc1cccc(C)c1-n1nc(CN)c(=O)cc1C.
What is the InChIKey of 3-(aminomethyl)-1-(2,6-dimethylphenyl)-6-methylpyridazin-4-one?
The InChIKey is JOGXLAYMWJQLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-5-4-6-10(2)14(9)17-11(3)7-13(18)12(8-15)16-17/h4-7H,8,15H2,1-3H3.
What are the key properties of 3-(aminomethyl)-1-(2,6-dimethylphenyl)-6-methylpyridazin-4-one?
3-(aminomethyl)-1-(2,6-dimethylphenyl)-6-methylpyridazin-4-one has a molecular weight of 243.31 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(2,6-dimethylphenyl)-6-methylpyridazin-4-one is sourced from PubChem (CID 82420285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).