5-methyl-2-[3-(propylamino)propyl]pyridazin-3-one

C11H19N3O — CID 106548523

IUPAC5-methyl-2-[3-(propylamino)propyl]pyridazin-3-one
SMILESCCCNCCCn1ncc(C)cc1=O
InChIInChI=1S/C11H19N3O/c1-3-5-12-6-4-7-14-11(15)8-10(2)9-13-14/h8-9,12H,3-7H2,1-2H3
InChIKeyIZGKKRLSRSYYJZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.94
Rot. Bonds6

About 5-methyl-2-[3-(propylamino)propyl]pyridazin-3-one

5-methyl-2-[3-(propylamino)propyl]pyridazin-3-one (PubChem CID 106548523) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-methyl-2-[3-(propylamino)propyl]pyridazin-3-one.

Molecular Properties

Compound Name5-methyl-2-[3-(propylamino)propyl]pyridazin-3-one
PubChem CID106548523
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-methyl-2-[3-(propylamino)propyl]pyridazin-3-one
SMILESCCCNCCCn1ncc(C)cc1=O
InChIInChI=1S/C11H19N3O/c1-3-5-12-6-4-7-14-11(15)8-10(2)9-13-14/h8-9,12H,3-7H2,1-2H3
InChIKeyIZGKKRLSRSYYJZ-UHFFFAOYSA-N
XLogP0.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.94
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-(Aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyridazin-3-one
CID 106548347
5-Methyl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 106549116
2-(3-Fluoropropyl)-5-methylpyridazin-3-one
CID 126996145
N-(2-methylpropyl)-6-oxo-1H-pyridazine-4-carboxamide
CID 20785128
5-(Aminomethyl)-2-ethylpyridazin-3(2H)-one
CID 21066412
4-(Aminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 23018232
4-(Aminomethyl)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride
CID 23018258
N-ethyl-2-methyl-3-oxopyridazine-4-carboxamide
CID 89020618
5-Methyl-2-prop-2-enylpyridazin-3-one
CID 130677854
4-Methanimidoyl-5-(methylamino)-2-prop-2-enylpyridazin-3-one
CID 156187890
Ethane;5-methyl-2-propan-2-ylpyridazin-3-one
CID 169135485
6-oxo-N-propan-2-yl-1H-pyridazine-4-carboxamide
CID 170237311

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[3-(propylamino)propyl]pyridazin-3-one?
The IUPAC name of 5-methyl-2-[3-(propylamino)propyl]pyridazin-3-one (CID 106548523) is 5-methyl-2-[3-(propylamino)propyl]pyridazin-3-one.
What is the SMILES notation for 5-methyl-2-[3-(propylamino)propyl]pyridazin-3-one?
The canonical SMILES for 5-methyl-2-[3-(propylamino)propyl]pyridazin-3-one is CCCNCCCn1ncc(C)cc1=O.
What is the InChIKey of 5-methyl-2-[3-(propylamino)propyl]pyridazin-3-one?
The InChIKey is IZGKKRLSRSYYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-5-12-6-4-7-14-11(15)8-10(2)9-13-14/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 5-methyl-2-[3-(propylamino)propyl]pyridazin-3-one?
5-methyl-2-[3-(propylamino)propyl]pyridazin-3-one has a molecular weight of 209.29 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[3-(propylamino)propyl]pyridazin-3-one is sourced from PubChem (CID 106548523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).