4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one

C9H15N3O — CID 23018232

IUPAC4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1nccc(CN)c1=O
InChIInChI=1S/C9H15N3O/c1-7(2)6-12-9(13)8(5-10)3-4-11-12/h3-4,7H,5-6,10H2,1-2H3
InChIKeySKELGQYFQAMMDF-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.36
Rot. Bonds3

About 4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one

4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 23018232) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one
PubChem CID23018232
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1nccc(CN)c1=O
InChIInChI=1S/C9H15N3O/c1-7(2)6-12-9(13)8(5-10)3-4-11-12/h3-4,7H,5-6,10H2,1-2H3
InChIKeySKELGQYFQAMMDF-UHFFFAOYSA-N
XLogP0.36
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-3-oxo-2,3-dihydropyridazine-4-carboxamide
CID 12122391
N-methyl-3-(3-oxo-2-pyridazinyl)propionamide
CID 20300060
2,4-Dimethylpyridazin-3(2H)-one
CID 20772174
N-(2-methylpropyl)-6-oxo-1H-pyridazine-4-carboxamide
CID 20785128
5-(Aminomethyl)-2-ethylpyridazin-3(2H)-one
CID 21066412
2-(2-Methylpropyl)pyridazin-3-one
CID 23018253
4-(Aminomethyl)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride
CID 23018258
4-(Aminomethyl)-2-methylpyridazin-3-one
CID 55285531
2-[2-(Dimethylamino)ethyl]-4-methylpyridazin-3-one
CID 57584072
2-methyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide
CID 58988011
N-tert-butyl-2-methyl-3-oxopyridazine-4-carboxamide
CID 59531630
N,2-dimethyl-3-oxopyridazine-4-carboxamide
CID 68317501

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one (CID 23018232) is 4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1nccc(CN)c1=O.
What is the InChIKey of 4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is SKELGQYFQAMMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(2)6-12-9(13)8(5-10)3-4-11-12/h3-4,7H,5-6,10H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one?
4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 181.24 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 23018232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).