6-methyl-2-(2-methylpropyl)-4-(propylaminomethyl)pyridazin-3-one

C13H23N3O — CID 82442863

IUPAC6-methyl-2-(2-methylpropyl)-4-(propylaminomethyl)pyridazin-3-one
SMILESCCCNCc1cc(C)nn(CC(C)C)c1=O
InChIInChI=1S/C13H23N3O/c1-5-6-14-8-12-7-11(4)15-16(13(12)17)9-10(2)3/h7,10,14H,5-6,8-9H2,1-4H3
InChIKeyCXZOBINCKRTQDN-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.71
Rot. Bonds6

About 6-methyl-2-(2-methylpropyl)-4-(propylaminomethyl)pyridazin-3-one

6-methyl-2-(2-methylpropyl)-4-(propylaminomethyl)pyridazin-3-one (PubChem CID 82442863) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 6-methyl-2-(2-methylpropyl)-4-(propylaminomethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-(2-methylpropyl)-4-(propylaminomethyl)pyridazin-3-one
PubChem CID82442863
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name6-methyl-2-(2-methylpropyl)-4-(propylaminomethyl)pyridazin-3-one
SMILESCCCNCc1cc(C)nn(CC(C)C)c1=O
InChIInChI=1S/C13H23N3O/c1-5-6-14-8-12-7-11(4)15-16(13(12)17)9-10(2)3/h7,10,14H,5-6,8-9H2,1-4H3
InChIKeyCXZOBINCKRTQDN-UHFFFAOYSA-N
XLogP1.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.71
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-methyl-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82442860
2-(2-methoxyethyl)-6-methyl-4-(propylaminomethyl)pyridazin-3-one
CID 82442981
2-ethyl-6-propan-2-yl-4-(propylaminomethyl)pyridazin-3-one
CID 82443197
6-methyl-4-[(2-methylpropylamino)methyl]-2-propylpyridazin-3-one
CID 82442791
2-butyl-4-(butylaminomethyl)-6-methylpyridazin-3-one
CID 82442924
6-tert-butyl-4-(butylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82443653
2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82442625
4-[(2-methylpropylamino)methyl]-6-propan-2-yl-2-propylpyridazin-3-one
CID 82443259
4-[(cyclopropylamino)methyl]-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one
CID 82443346
4-(bromomethyl)-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one
CID 82443355
6-(3,4-difluorophenyl)-4-[(2-hydroxyethylamino)methyl]-2-(2-methylpropyl)pyridazin-3-one
CID 141064912
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propylpropan-1-amine
CID 62447597

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylpropyl)-4-(propylaminomethyl)pyridazin-3-one?
The IUPAC name of 6-methyl-2-(2-methylpropyl)-4-(propylaminomethyl)pyridazin-3-one (CID 82442863) is 6-methyl-2-(2-methylpropyl)-4-(propylaminomethyl)pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-(2-methylpropyl)-4-(propylaminomethyl)pyridazin-3-one?
The canonical SMILES for 6-methyl-2-(2-methylpropyl)-4-(propylaminomethyl)pyridazin-3-one is CCCNCc1cc(C)nn(CC(C)C)c1=O.
What is the InChIKey of 6-methyl-2-(2-methylpropyl)-4-(propylaminomethyl)pyridazin-3-one?
The InChIKey is CXZOBINCKRTQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-6-14-8-12-7-11(4)15-16(13(12)17)9-10(2)3/h7,10,14H,5-6,8-9H2,1-4H3.
What are the key properties of 6-methyl-2-(2-methylpropyl)-4-(propylaminomethyl)pyridazin-3-one?
6-methyl-2-(2-methylpropyl)-4-(propylaminomethyl)pyridazin-3-one has a molecular weight of 237.35 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylpropyl)-4-(propylaminomethyl)pyridazin-3-one is sourced from PubChem (CID 82442863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).