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

C9H15N3O3 — CID 105061735

IUPAC2-[2-hydroxy-3-(methylamino)propyl]-6-methoxypyridazin-3-one
SMILESCNCC(O)Cn1nc(OC)ccc1=O
InChIInChI=1S/C9H15N3O3/c1-10-5-7(13)6-12-9(14)4-3-8(11-12)15-2/h3-4,7,10,13H,5-6H2,1-2H3
InChIKeyNYWFHMHABXMACB-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.17
Rot. Bonds5

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

2-[2-hydroxy-3-(methylamino)propyl]-6-methoxypyridazin-3-one (PubChem CID 105061735) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(methylamino)propyl]-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-[2-hydroxy-3-(methylamino)propyl]-6-methoxypyridazin-3-one
PubChem CID105061735
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-[2-hydroxy-3-(methylamino)propyl]-6-methoxypyridazin-3-one
SMILESCNCC(O)Cn1nc(OC)ccc1=O
InChIInChI=1S/C9H15N3O3/c1-10-5-7(13)6-12-9(14)4-3-8(11-12)15-2/h3-4,7,10,13H,5-6H2,1-2H3
InChIKeyNYWFHMHABXMACB-UHFFFAOYSA-N
XLogP-1.17
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-Fluoro-2-hydroxypropyl)-6-methoxy-2,3-dihydropyridazin-3-one
CID 165786767
2-[2-Hydroxy-3-(methylamino)propyl]pyridazin-3-one
CID 62848729
2-[3-(Ethylamino)-2-hydroxypropyl]pyridazin-3-one
CID 62848900
2-[2-Hydroxy-3-(propan-2-ylamino)propyl]pyridazin-3-one
CID 62848901
2-[2-Hydroxy-3-(propylamino)propyl]pyridazin-3-one
CID 62848902
2-[2-Hydroxy-3-(methylamino)propyl]-6-methylpyridazin-3-one
CID 62923721
2-[2-(2-Aminoethoxy)ethyl]-6-methoxypyridazin-3-one
CID 103482444
2-(3-Aminopropyl)-6-methoxypyridazin-3-one
CID 105061504
2-(4-Amino-3-ethoxybutyl)-6-methoxypyridazin-3-one
CID 105061521
2-(3-Amino-2-ethoxypropyl)-6-methoxypyridazin-3-one
CID 105061525
2-(3-Bromo-2-hydroxypropyl)-6-methoxypyridazin-3-one
CID 105061612
6-Methoxy-2-[3-(methylamino)propyl]pyridazin-3-one
CID 105061675

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-(methylamino)propyl]-6-methoxypyridazin-3-one?
The IUPAC name of 2-[2-hydroxy-3-(methylamino)propyl]-6-methoxypyridazin-3-one (CID 105061735) is 2-[2-hydroxy-3-(methylamino)propyl]-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-[2-hydroxy-3-(methylamino)propyl]-6-methoxypyridazin-3-one?
The canonical SMILES for 2-[2-hydroxy-3-(methylamino)propyl]-6-methoxypyridazin-3-one is CNCC(O)Cn1nc(OC)ccc1=O.
What is the InChIKey of 2-[2-hydroxy-3-(methylamino)propyl]-6-methoxypyridazin-3-one?
The InChIKey is NYWFHMHABXMACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-10-5-7(13)6-12-9(14)4-3-8(11-12)15-2/h3-4,7,10,13H,5-6H2,1-2H3.
What are the key properties of 2-[2-hydroxy-3-(methylamino)propyl]-6-methoxypyridazin-3-one?
2-[2-hydroxy-3-(methylamino)propyl]-6-methoxypyridazin-3-one has a molecular weight of 213.24 g/mol, XLogP of -1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(methylamino)propyl]-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).