2-(2-hydroxypropyl)-6-methoxypyridazin-3-one

C8H12N2O3 — CID 105061942

IUPAC2-(2-hydroxypropyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(C)O)n1
InChIInChI=1S/C8H12N2O3/c1-6(11)5-10-8(12)4-3-7(9-10)13-2/h3-4,6,11H,5H2,1-2H3
InChIKeyUPQQMLOPNSYBAR-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.37
Rot. Bonds3

About 2-(2-hydroxypropyl)-6-methoxypyridazin-3-one

2-(2-hydroxypropyl)-6-methoxypyridazin-3-one (PubChem CID 105061942) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxypropyl)-6-methoxypyridazin-3-one
PubChem CID105061942
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-(2-hydroxypropyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(C)O)n1
InChIInChI=1S/C8H12N2O3/c1-6(11)5-10-8(12)4-3-7(9-10)13-2/h3-4,6,11H,5H2,1-2H3
InChIKeyUPQQMLOPNSYBAR-UHFFFAOYSA-N
XLogP-0.37
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(2-hydroxypropyl)-6-methoxypyridazin-3-one (CID 105061942) is 2-(2-hydroxypropyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxypropyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(2-hydroxypropyl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(CC(C)O)n1.
What is the InChIKey of 2-(2-hydroxypropyl)-6-methoxypyridazin-3-one?
The InChIKey is UPQQMLOPNSYBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-6(11)5-10-8(12)4-3-7(9-10)13-2/h3-4,6,11H,5H2,1-2H3.
What are the key properties of 2-(2-hydroxypropyl)-6-methoxypyridazin-3-one?
2-(2-hydroxypropyl)-6-methoxypyridazin-3-one has a molecular weight of 184.19 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).