2-(2,3-dihydroxypropyl)-6-methoxypyridazin-3-one

C8H12N2O4 — CID 105061939

IUPAC2-(2,3-dihydroxypropyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(O)CO)n1
InChIInChI=1S/C8H12N2O4/c1-14-7-2-3-8(13)10(9-7)4-6(12)5-11/h2-3,6,11-12H,4-5H2,1H3
InChIKeyJXNYPSHZWOKRRQ-UHFFFAOYSA-N
MW200.19 g/mol
LogP-1.39
Rot. Bonds4

About 2-(2,3-dihydroxypropyl)-6-methoxypyridazin-3-one

2-(2,3-dihydroxypropyl)-6-methoxypyridazin-3-one (PubChem CID 105061939) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(2,3-dihydroxypropyl)-6-methoxypyridazin-3-one
PubChem CID105061939
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name2-(2,3-dihydroxypropyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(O)CO)n1
InChIInChI=1S/C8H12N2O4/c1-14-7-2-3-8(13)10(9-7)4-6(12)5-11/h2-3,6,11-12H,4-5H2,1H3
InChIKeyJXNYPSHZWOKRRQ-UHFFFAOYSA-N
XLogP-1.39
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]-6-methoxypyridazin-3-one
CID 105062059
2-[2-amino-2-(4-fluorophenyl)ethyl]-6-methoxypyridazin-3-one
CID 107523229
2-(3-methoxy-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
CID 132587202
6-methoxy-2-[2-(propylamino)pentyl]pyridazin-3-one
CID 105061674
(E)-4-(3-methoxy-6-oxopyridazin-1-yl)but-2-enoic acid
CID 105061529
2-(4-aminobutyl)-6-methoxypyridazin-3-one
CID 105061500
6-(3-methoxy-6-oxopyridazin-1-yl)hexanoic acid
CID 105061554
ethyl 3-(3-methoxy-6-oxopyridazin-1-yl)propanoate
CID 105061550
6-methoxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 105061881
6-methoxy-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073142
2-(azetidin-3-ylmethyl)-6-methoxypyridazin-3-one
CID 130530939
2-[2-(ethylamino)-2-(3-methylphenyl)ethyl]-6-methoxypyridazin-3-one
CID 105061640

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(2,3-dihydroxypropyl)-6-methoxypyridazin-3-one (CID 105061939) is 2-(2,3-dihydroxypropyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(2,3-dihydroxypropyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(2,3-dihydroxypropyl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(CC(O)CO)n1.
What is the InChIKey of 2-(2,3-dihydroxypropyl)-6-methoxypyridazin-3-one?
The InChIKey is JXNYPSHZWOKRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-14-7-2-3-8(13)10(9-7)4-6(12)5-11/h2-3,6,11-12H,4-5H2,1H3.
What are the key properties of 2-(2,3-dihydroxypropyl)-6-methoxypyridazin-3-one?
2-(2,3-dihydroxypropyl)-6-methoxypyridazin-3-one has a molecular weight of 200.19 g/mol, XLogP of -1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).