6-methoxy-2-[3-(propylamino)propyl]pyridazin-3-one

C11H19N3O2 — CID 105061699

IUPAC6-methoxy-2-[3-(propylamino)propyl]pyridazin-3-one
SMILESCCCNCCCn1nc(OC)ccc1=O
InChIInChI=1S/C11H19N3O2/c1-3-7-12-8-4-9-14-11(15)6-5-10(13-14)16-2/h5-6,12H,3-4,7-9H2,1-2H3
InChIKeyYQMUZIMLFAACRM-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.64
Rot. Bonds7

About 6-methoxy-2-[3-(propylamino)propyl]pyridazin-3-one

6-methoxy-2-[3-(propylamino)propyl]pyridazin-3-one (PubChem CID 105061699) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 6-methoxy-2-[3-(propylamino)propyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methoxy-2-[3-(propylamino)propyl]pyridazin-3-one
PubChem CID105061699
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name6-methoxy-2-[3-(propylamino)propyl]pyridazin-3-one
SMILESCCCNCCCn1nc(OC)ccc1=O
InChIInChI=1S/C11H19N3O2/c1-3-7-12-8-4-9-14-11(15)6-5-10(13-14)16-2/h5-6,12H,3-4,7-9H2,1-2H3
InChIKeyYQMUZIMLFAACRM-UHFFFAOYSA-N
XLogP0.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-Methoxy-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 113675831
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-6-methoxypyridazin-3-one
CID 113807420
3-[3-(methylamino)propoxy]-1H-pyridazin-6-one
CID 122471473
6-Methoxy-2-propylpyridazin-3-one
CID 131085900
2-[2-(Aminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one
CID 103073140
2-[2-(Ethylaminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one
CID 103073141
6-Methoxy-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073142
6-Methoxy-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one
CID 103073143
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl]-6-methoxypyridazin-3-one
CID 103073144
2-[2-(2-Aminoethoxy)ethyl]-6-methoxypyridazin-3-one
CID 103482444
2-(2-Aminoethyl)-6-methoxypyridazin-3-one
CID 105061489
2-(4-Aminobutyl)-6-methoxypyridazin-3-one
CID 105061500

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[3-(propylamino)propyl]pyridazin-3-one?
The IUPAC name of 6-methoxy-2-[3-(propylamino)propyl]pyridazin-3-one (CID 105061699) is 6-methoxy-2-[3-(propylamino)propyl]pyridazin-3-one.
What is the SMILES notation for 6-methoxy-2-[3-(propylamino)propyl]pyridazin-3-one?
The canonical SMILES for 6-methoxy-2-[3-(propylamino)propyl]pyridazin-3-one is CCCNCCCn1nc(OC)ccc1=O.
What is the InChIKey of 6-methoxy-2-[3-(propylamino)propyl]pyridazin-3-one?
The InChIKey is YQMUZIMLFAACRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-7-12-8-4-9-14-11(15)6-5-10(13-14)16-2/h5-6,12H,3-4,7-9H2,1-2H3.
What are the key properties of 6-methoxy-2-[3-(propylamino)propyl]pyridazin-3-one?
6-methoxy-2-[3-(propylamino)propyl]pyridazin-3-one has a molecular weight of 225.29 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[3-(propylamino)propyl]pyridazin-3-one is sourced from PubChem (CID 105061699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).