2-ethyl-6-propan-2-yl-4-(propylaminomethyl)pyridazin-3-one

C13H23N3O — CID 82443197

IUPAC2-ethyl-6-propan-2-yl-4-(propylaminomethyl)pyridazin-3-one
SMILESCCCNCc1cc(C(C)C)nn(CC)c1=O
InChIInChI=1S/C13H23N3O/c1-5-7-14-9-11-8-12(10(3)4)15-16(6-2)13(11)17/h8,10,14H,5-7,9H2,1-4H3
InChIKeyVIDQZDKUEFQTJD-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.89
Rot. Bonds6

About 2-ethyl-6-propan-2-yl-4-(propylaminomethyl)pyridazin-3-one

2-ethyl-6-propan-2-yl-4-(propylaminomethyl)pyridazin-3-one (PubChem CID 82443197) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-ethyl-6-propan-2-yl-4-(propylaminomethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-6-propan-2-yl-4-(propylaminomethyl)pyridazin-3-one
PubChem CID82443197
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-ethyl-6-propan-2-yl-4-(propylaminomethyl)pyridazin-3-one
SMILESCCCNCc1cc(C(C)C)nn(CC)c1=O
InChIInChI=1S/C13H23N3O/c1-5-7-14-9-11-8-12(10(3)4)15-16(6-2)13(11)17/h8,10,14H,5-7,9H2,1-4H3
InChIKeyVIDQZDKUEFQTJD-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
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-2-(2-methylpropyl)-4-(propylaminomethyl)pyridazin-3-one
CID 82442863
2-butyl-4-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridazin-3-one
CID 82443309
2-butyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one
CID 82443306
2-(2-methoxyethyl)-6-methyl-4-(propylaminomethyl)pyridazin-3-one
CID 82442981
N-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 66440933
6-tert-butyl-2-ethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82443565
2-butyl-4-(butylaminomethyl)-6-methylpyridazin-3-one
CID 82442924
6-methyl-4-[(2-methylpropylamino)methyl]-2-propylpyridazin-3-one
CID 82442791
6-tert-butyl-4-(butylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82443653
4-[(cyclopropylamino)methyl]-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one
CID 82443346
4-[(butan-2-ylamino)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one
CID 82443126
2-methyl-6-(4-methylphenyl)-4-(propylaminomethyl)pyridazin-3-one
CID 82443803

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-propan-2-yl-4-(propylaminomethyl)pyridazin-3-one?
The IUPAC name of 2-ethyl-6-propan-2-yl-4-(propylaminomethyl)pyridazin-3-one (CID 82443197) is 2-ethyl-6-propan-2-yl-4-(propylaminomethyl)pyridazin-3-one.
What is the SMILES notation for 2-ethyl-6-propan-2-yl-4-(propylaminomethyl)pyridazin-3-one?
The canonical SMILES for 2-ethyl-6-propan-2-yl-4-(propylaminomethyl)pyridazin-3-one is CCCNCc1cc(C(C)C)nn(CC)c1=O.
What is the InChIKey of 2-ethyl-6-propan-2-yl-4-(propylaminomethyl)pyridazin-3-one?
The InChIKey is VIDQZDKUEFQTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-7-14-9-11-8-12(10(3)4)15-16(6-2)13(11)17/h8,10,14H,5-7,9H2,1-4H3.
What are the key properties of 2-ethyl-6-propan-2-yl-4-(propylaminomethyl)pyridazin-3-one?
2-ethyl-6-propan-2-yl-4-(propylaminomethyl)pyridazin-3-one has a molecular weight of 237.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-propan-2-yl-4-(propylaminomethyl)pyridazin-3-one is sourced from PubChem (CID 82443197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).