2-butyl-4-(butylaminomethyl)-6-methylpyridazin-3-one

C14H25N3O — CID 82442924

IUPAC2-butyl-4-(butylaminomethyl)-6-methylpyridazin-3-one
SMILESCCCCNCc1cc(C)nn(CCCC)c1=O
InChIInChI=1S/C14H25N3O/c1-4-6-8-15-11-13-10-12(3)16-17(14(13)18)9-7-5-2/h10,15H,4-9,11H2,1-3H3
InChIKeyKKMYTEKNEHQSFP-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.24
Rot. Bonds8

About 2-butyl-4-(butylaminomethyl)-6-methylpyridazin-3-one

2-butyl-4-(butylaminomethyl)-6-methylpyridazin-3-one (PubChem CID 82442924) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-butyl-4-(butylaminomethyl)-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-(butylaminomethyl)-6-methylpyridazin-3-one
PubChem CID82442924
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-butyl-4-(butylaminomethyl)-6-methylpyridazin-3-one
SMILESCCCCNCc1cc(C)nn(CCCC)c1=O
InChIInChI=1S/C14H25N3O/c1-4-6-8-15-11-13-10-12(3)16-17(14(13)18)9-7-5-2/h10,15H,4-9,11H2,1-3H3
InChIKeyKKMYTEKNEHQSFP-UHFFFAOYSA-N
XLogP2.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethyl)-6-methyl-4-(propylaminomethyl)pyridazin-3-one
CID 82442981
2-butyl-4-[(cyclopentylamino)methyl]-6-methylpyridazin-3-one
CID 82442927
2-butyl-4-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridazin-3-one
CID 82443309
6-methyl-4-[(2-methylpropylamino)methyl]-2-propylpyridazin-3-one
CID 82442791
6-methyl-2-(2-methylpropyl)-4-(propylaminomethyl)pyridazin-3-one
CID 82442863
2-butyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one
CID 82443306
6-tert-butyl-4-(butylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82443653
4-(butylaminomethyl)-6-(3,4-dimethylphenyl)-2-methylpyridazin-3-one
CID 82443929
4-(butylaminomethyl)-6-(2,5-dimethylphenyl)-2-methylpyridazin-3-one
CID 82443960
2-ethyl-6-propan-2-yl-4-(propylaminomethyl)pyridazin-3-one
CID 82443197
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine
CID 115573303
N-butyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]acetamide
CID 115573473

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-(butylaminomethyl)-6-methylpyridazin-3-one?
The IUPAC name of 2-butyl-4-(butylaminomethyl)-6-methylpyridazin-3-one (CID 82442924) is 2-butyl-4-(butylaminomethyl)-6-methylpyridazin-3-one.
What is the SMILES notation for 2-butyl-4-(butylaminomethyl)-6-methylpyridazin-3-one?
The canonical SMILES for 2-butyl-4-(butylaminomethyl)-6-methylpyridazin-3-one is CCCCNCc1cc(C)nn(CCCC)c1=O.
What is the InChIKey of 2-butyl-4-(butylaminomethyl)-6-methylpyridazin-3-one?
The InChIKey is KKMYTEKNEHQSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-6-8-15-11-13-10-12(3)16-17(14(13)18)9-7-5-2/h10,15H,4-9,11H2,1-3H3.
What are the key properties of 2-butyl-4-(butylaminomethyl)-6-methylpyridazin-3-one?
2-butyl-4-(butylaminomethyl)-6-methylpyridazin-3-one has a molecular weight of 251.37 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-(butylaminomethyl)-6-methylpyridazin-3-one is sourced from PubChem (CID 82442924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).