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

C12H21N3O2 — CID 105061649

IUPAC6-methoxy-2-[3-(propylamino)butyl]pyridazin-3-one
SMILESCCCNC(C)CCn1nc(OC)ccc1=O
InChIInChI=1S/C12H21N3O2/c1-4-8-13-10(2)7-9-15-12(16)6-5-11(14-15)17-3/h5-6,10,13H,4,7-9H2,1-3H3
InChIKeyVJQBRPMELKHKLG-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.03
Rot. Bonds7

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

6-methoxy-2-[3-(propylamino)butyl]pyridazin-3-one (PubChem CID 105061649) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-methoxy-2-[3-(propylamino)butyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methoxy-2-[3-(propylamino)butyl]pyridazin-3-one
PubChem CID105061649
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name6-methoxy-2-[3-(propylamino)butyl]pyridazin-3-one
SMILESCCCNC(C)CCn1nc(OC)ccc1=O
InChIInChI=1S/C12H21N3O2/c1-4-8-13-10(2)7-9-15-12(16)6-5-11(14-15)17-3/h5-6,10,13H,4,7-9H2,1-3H3
InChIKeyVJQBRPMELKHKLG-UHFFFAOYSA-N
XLogP1.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(Propylamino)butyl]pyridazin-3-one
CID 62848727
2-[3-(Ethylamino)butyl]pyridazin-3-one
CID 62850667
6-methoxy-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819960
6-methoxy-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819961
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-Aminoethyl)-6-methoxypyridazin-3-one
CID 105061489
2-(4-Aminobutyl)-6-methoxypyridazin-3-one
CID 105061500
2-(4-Amino-3,3-dimethylbutyl)-6-methoxypyridazin-3-one
CID 105061503

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[3-(propylamino)butyl]pyridazin-3-one?
The IUPAC name of 6-methoxy-2-[3-(propylamino)butyl]pyridazin-3-one (CID 105061649) is 6-methoxy-2-[3-(propylamino)butyl]pyridazin-3-one.
What is the SMILES notation for 6-methoxy-2-[3-(propylamino)butyl]pyridazin-3-one?
The canonical SMILES for 6-methoxy-2-[3-(propylamino)butyl]pyridazin-3-one is CCCNC(C)CCn1nc(OC)ccc1=O.
What is the InChIKey of 6-methoxy-2-[3-(propylamino)butyl]pyridazin-3-one?
The InChIKey is VJQBRPMELKHKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-8-13-10(2)7-9-15-12(16)6-5-11(14-15)17-3/h5-6,10,13H,4,7-9H2,1-3H3.
What are the key properties of 6-methoxy-2-[3-(propylamino)butyl]pyridazin-3-one?
6-methoxy-2-[3-(propylamino)butyl]pyridazin-3-one has a molecular weight of 239.32 g/mol, XLogP of 1.03, 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)butyl]pyridazin-3-one is sourced from PubChem (CID 105061649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).