2-(3-hydroxybutan-2-yl)-6-methoxypyridazin-3-one

C9H14N2O3 — CID 105061951

IUPAC2-(3-hydroxybutan-2-yl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(C(C)C(C)O)n1
InChIInChI=1S/C9H14N2O3/c1-6(7(2)12)11-9(13)5-4-8(10-11)14-3/h4-7,12H,1-3H3
InChIKeyJWONYBYNQWQJIP-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.19
Rot. Bonds3

About 2-(3-hydroxybutan-2-yl)-6-methoxypyridazin-3-one

2-(3-hydroxybutan-2-yl)-6-methoxypyridazin-3-one (PubChem CID 105061951) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(3-hydroxybutan-2-yl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(3-hydroxybutan-2-yl)-6-methoxypyridazin-3-one
PubChem CID105061951
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-(3-hydroxybutan-2-yl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(C(C)C(C)O)n1
InChIInChI=1S/C9H14N2O3/c1-6(7(2)12)11-9(13)5-4-8(10-11)14-3/h4-7,12H,1-3H3
InChIKeyJWONYBYNQWQJIP-UHFFFAOYSA-N
XLogP0.19
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxybutan-2-yl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(3-hydroxybutan-2-yl)-6-methoxypyridazin-3-one (CID 105061951) is 2-(3-hydroxybutan-2-yl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(3-hydroxybutan-2-yl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(3-hydroxybutan-2-yl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(C(C)C(C)O)n1.
What is the InChIKey of 2-(3-hydroxybutan-2-yl)-6-methoxypyridazin-3-one?
The InChIKey is JWONYBYNQWQJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-6(7(2)12)11-9(13)5-4-8(10-11)14-3/h4-7,12H,1-3H3.
What are the key properties of 2-(3-hydroxybutan-2-yl)-6-methoxypyridazin-3-one?
2-(3-hydroxybutan-2-yl)-6-methoxypyridazin-3-one has a molecular weight of 198.22 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxybutan-2-yl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).