6-tert-butyl-4-(butylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one

C17H31N3O — CID 82443653

IUPAC6-tert-butyl-4-(butylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCCCCNCc1cc(C(C)(C)C)nn(CC(C)C)c1=O
InChIInChI=1S/C17H31N3O/c1-7-8-9-18-11-14-10-15(17(4,5)6)19-20(16(14)21)12-13(2)3/h10,13,18H,7-9,11-12H2,1-6H3
InChIKeyMJTULGWUJCPTFT-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.09
Rot. Bonds7

About 6-tert-butyl-4-(butylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one

6-tert-butyl-4-(butylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 82443653) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 6-tert-butyl-4-(butylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-4-(butylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
PubChem CID82443653
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name6-tert-butyl-4-(butylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCCCCNCc1cc(C(C)(C)C)nn(CC(C)C)c1=O
InChIInChI=1S/C17H31N3O/c1-7-8-9-18-11-14-10-15(17(4,5)6)19-20(16(14)21)12-13(2)3/h10,13,18H,7-9,11-12H2,1-6H3
InChIKeyMJTULGWUJCPTFT-UHFFFAOYSA-N
XLogP3.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.09
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

6-tert-butyl-2-ethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82443565
6-methyl-2-(2-methylpropyl)-4-(propylaminomethyl)pyridazin-3-one
CID 82442863
2-[6-tert-butyl-2-(2-methylpropyl)-3-oxopyridazin-4-yl]acetyl chloride
CID 82443676
2-butyl-4-(butylaminomethyl)-6-methylpyridazin-3-one
CID 82442924
3-tert-butyl-5-(butylaminomethyl)-1H-pyridazin-6-one
CID 82443430
2-ethyl-6-propan-2-yl-4-(propylaminomethyl)pyridazin-3-one
CID 82443197
2-butyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one
CID 82443306
6-methyl-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82442860
2-butyl-4-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridazin-3-one
CID 82443309
6-(3,4-difluorophenyl)-4-[(2-hydroxyethylamino)methyl]-2-(2-methylpropyl)pyridazin-3-one
CID 141064912
6-tert-butyl-2-(2-methylpropyl)-4-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridazin-3-one
CID 82443668
N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]butan-1-amine
CID 82448776

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-(butylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 6-tert-butyl-4-(butylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one (CID 82443653) is 6-tert-butyl-4-(butylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-4-(butylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-4-(butylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one is CCCCNCc1cc(C(C)(C)C)nn(CC(C)C)c1=O.
What is the InChIKey of 6-tert-butyl-4-(butylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is MJTULGWUJCPTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-7-8-9-18-11-14-10-15(17(4,5)6)19-20(16(14)21)12-13(2)3/h10,13,18H,7-9,11-12H2,1-6H3.
What are the key properties of 6-tert-butyl-4-(butylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one?
6-tert-butyl-4-(butylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 293.46 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-(butylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 82443653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).