2-(2-cyclopropyl-2-hydroxyethyl)-6-methoxypyridazin-3-one

C10H14N2O3 — CID 105062063

IUPAC2-(2-cyclopropyl-2-hydroxyethyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(O)C2CC2)n1
InChIInChI=1S/C10H14N2O3/c1-15-9-4-5-10(14)12(11-9)6-8(13)7-2-3-7/h4-5,7-8,13H,2-3,6H2,1H3
InChIKeyFYAHUSBEEZMXQG-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.02
Rot. Bonds4

About 2-(2-cyclopropyl-2-hydroxyethyl)-6-methoxypyridazin-3-one

2-(2-cyclopropyl-2-hydroxyethyl)-6-methoxypyridazin-3-one (PubChem CID 105062063) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(2-cyclopropyl-2-hydroxyethyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(2-cyclopropyl-2-hydroxyethyl)-6-methoxypyridazin-3-one
PubChem CID105062063
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(2-cyclopropyl-2-hydroxyethyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(O)C2CC2)n1
InChIInChI=1S/C10H14N2O3/c1-15-9-4-5-10(14)12(11-9)6-8(13)7-2-3-7/h4-5,7-8,13H,2-3,6H2,1H3
InChIKeyFYAHUSBEEZMXQG-UHFFFAOYSA-N
XLogP0.02
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Cyclopropyl-2-hydroxyethyl)pyridazin-3-one
CID 63905587
2-(2-Cyclopropyl-2-hydroxyethyl)-6-methylpyridazin-3-one
CID 63906392
2-(2-Hydroxypropyl)-6-methoxypyridazin-3-one
CID 105061942
2-(2-Hydroxybutyl)-6-methoxypyridazin-3-one
CID 105061944
2-(3-Hydroxybutyl)-6-methoxypyridazin-3-one
CID 105061948
2-(3-Hydroxybutan-2-yl)-6-methoxypyridazin-3-one
CID 105061951
2-[(2R)-2-hydroxypropyl]-6-methoxypyridazin-3-one
CID 105062037
2-(2-Hydroxypentyl)-6-methoxypyridazin-3-one
CID 105062043
2-(2-Hydroxy-3-methylpentyl)-6-methoxypyridazin-3-one
CID 105062045
2-[(2S)-2-hydroxypropyl]-6-methoxypyridazin-3-one
CID 105062046
2-(2-Hydroxy-3,3-dimethylbutyl)-6-methoxypyridazin-3-one
CID 105062051
2-(2-Hydroxy-3-methylbutyl)-6-methoxypyridazin-3-one
CID 105062054

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-2-hydroxyethyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(2-cyclopropyl-2-hydroxyethyl)-6-methoxypyridazin-3-one (CID 105062063) is 2-(2-cyclopropyl-2-hydroxyethyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(2-cyclopropyl-2-hydroxyethyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(2-cyclopropyl-2-hydroxyethyl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(CC(O)C2CC2)n1.
What is the InChIKey of 2-(2-cyclopropyl-2-hydroxyethyl)-6-methoxypyridazin-3-one?
The InChIKey is FYAHUSBEEZMXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-15-9-4-5-10(14)12(11-9)6-8(13)7-2-3-7/h4-5,7-8,13H,2-3,6H2,1H3.
What are the key properties of 2-(2-cyclopropyl-2-hydroxyethyl)-6-methoxypyridazin-3-one?
2-(2-cyclopropyl-2-hydroxyethyl)-6-methoxypyridazin-3-one has a molecular weight of 210.23 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-2-hydroxyethyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 105062063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).