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

C9H15N3O — CID 106548541

IUPAC5-methyl-2-[3-(methylamino)propyl]pyridazin-3-one
SMILESCNCCCn1ncc(C)cc1=O
InChIInChI=1S/C9H15N3O/c1-8-6-9(13)12(11-7-8)5-3-4-10-2/h6-7,10H,3-5H2,1-2H3
InChIKeyDNUHBLXBZXIYGV-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.16
Rot. Bonds4

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

5-methyl-2-[3-(methylamino)propyl]pyridazin-3-one (PubChem CID 106548541) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-methyl-2-[3-(methylamino)propyl]pyridazin-3-one.

Molecular Properties

Compound Name5-methyl-2-[3-(methylamino)propyl]pyridazin-3-one
PubChem CID106548541
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-methyl-2-[3-(methylamino)propyl]pyridazin-3-one
SMILESCNCCCn1ncc(C)cc1=O
InChIInChI=1S/C9H15N3O/c1-8-6-9(13)12(11-7-8)5-3-4-10-2/h6-7,10H,3-5H2,1-2H3
InChIKeyDNUHBLXBZXIYGV-UHFFFAOYSA-N
XLogP0.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.16
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
2-(3-Fluorobutyl)-5-methylpyridazin-3-one
CID 131183205
N-methyl-3-(3-oxo-2-pyridazinyl)propionamide
CID 20300060
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
N-ethyl-2-methyl-3-oxopyridazine-4-carboxamide
CID 89020618
2-Ethyl-5-methyl-2,3-dihydropyridazin-3-one
CID 124252037
5-Methyl-2-(propan-2-yl)-2,3-dihydropyridazin-3-one
CID 125451803
5-Methyl-2-prop-2-enylpyridazin-3-one
CID 130677854

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[3-(methylamino)propyl]pyridazin-3-one?
The IUPAC name of 5-methyl-2-[3-(methylamino)propyl]pyridazin-3-one (CID 106548541) is 5-methyl-2-[3-(methylamino)propyl]pyridazin-3-one.
What is the SMILES notation for 5-methyl-2-[3-(methylamino)propyl]pyridazin-3-one?
The canonical SMILES for 5-methyl-2-[3-(methylamino)propyl]pyridazin-3-one is CNCCCn1ncc(C)cc1=O.
What is the InChIKey of 5-methyl-2-[3-(methylamino)propyl]pyridazin-3-one?
The InChIKey is DNUHBLXBZXIYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-8-6-9(13)12(11-7-8)5-3-4-10-2/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 5-methyl-2-[3-(methylamino)propyl]pyridazin-3-one?
5-methyl-2-[3-(methylamino)propyl]pyridazin-3-one has a molecular weight of 181.24 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[3-(methylamino)propyl]pyridazin-3-one is sourced from PubChem (CID 106548541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).