2-[2-hydroxy-3-(propylamino)propyl]-6-methoxypyridazin-3-one

C11H19N3O3 — CID 105061736

IUPAC2-[2-hydroxy-3-(propylamino)propyl]-6-methoxypyridazin-3-one
SMILESCCCNCC(O)Cn1nc(OC)ccc1=O
InChIInChI=1S/C11H19N3O3/c1-3-6-12-7-9(15)8-14-11(16)5-4-10(13-14)17-2/h4-5,9,12,15H,3,6-8H2,1-2H3
InChIKeyAHKFCIZJPGRWHS-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.39
Rot. Bonds7

About 2-[2-hydroxy-3-(propylamino)propyl]-6-methoxypyridazin-3-one

2-[2-hydroxy-3-(propylamino)propyl]-6-methoxypyridazin-3-one (PubChem CID 105061736) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(propylamino)propyl]-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-[2-hydroxy-3-(propylamino)propyl]-6-methoxypyridazin-3-one
PubChem CID105061736
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-[2-hydroxy-3-(propylamino)propyl]-6-methoxypyridazin-3-one
SMILESCCCNCC(O)Cn1nc(OC)ccc1=O
InChIInChI=1S/C11H19N3O3/c1-3-6-12-7-9(15)8-14-11(16)5-4-10(13-14)17-2/h4-5,9,12,15H,3,6-8H2,1-2H3
InChIKeyAHKFCIZJPGRWHS-UHFFFAOYSA-N
XLogP-0.39
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-(propylamino)propyl]-6-methoxypyridazin-3-one?
The IUPAC name of 2-[2-hydroxy-3-(propylamino)propyl]-6-methoxypyridazin-3-one (CID 105061736) is 2-[2-hydroxy-3-(propylamino)propyl]-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-[2-hydroxy-3-(propylamino)propyl]-6-methoxypyridazin-3-one?
The canonical SMILES for 2-[2-hydroxy-3-(propylamino)propyl]-6-methoxypyridazin-3-one is CCCNCC(O)Cn1nc(OC)ccc1=O.
What is the InChIKey of 2-[2-hydroxy-3-(propylamino)propyl]-6-methoxypyridazin-3-one?
The InChIKey is AHKFCIZJPGRWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-6-12-7-9(15)8-14-11(16)5-4-10(13-14)17-2/h4-5,9,12,15H,3,6-8H2,1-2H3.
What are the key properties of 2-[2-hydroxy-3-(propylamino)propyl]-6-methoxypyridazin-3-one?
2-[2-hydroxy-3-(propylamino)propyl]-6-methoxypyridazin-3-one has a molecular weight of 241.29 g/mol, XLogP of -0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(propylamino)propyl]-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).