2-[(2R)-2-hydroxy-3-methoxypropyl]pyridazin-3-one

C8H12N2O3 — CID 123747839

IUPAC2-[(2R)-2-hydroxy-3-methoxypropyl]pyridazin-3-one
SMILESCOC[C@H](O)Cn1ncccc1=O
InChIInChI=1S/C8H12N2O3/c1-13-6-7(11)5-10-8(12)3-2-4-9-10/h2-4,7,11H,5-6H2,1H3/t7-/m1/s1
InChIKeyRTKJPJZEDKCFFE-SSDOTTSWSA-N
MW184.20 g/mol
LogP-0.75
Rot. Bonds4

About 2-[(2R)-2-hydroxy-3-methoxypropyl]pyridazin-3-one

2-[(2R)-2-hydroxy-3-methoxypropyl]pyridazin-3-one (PubChem CID 123747839) has the molecular formula C8H12N2O3 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-[(2R)-2-hydroxy-3-methoxypropyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(2R)-2-hydroxy-3-methoxypropyl]pyridazin-3-one
PubChem CID123747839
Molecular FormulaC8H12N2O3
Molecular Weight184.20 g/mol
Exact Mass184.08
IUPAC Name2-[(2R)-2-hydroxy-3-methoxypropyl]pyridazin-3-one
SMILESCOC[C@H](O)Cn1ncccc1=O
InChIInChI=1S/C8H12N2O3/c1-13-6-7(11)5-10-8(12)3-2-4-9-10/h2-4,7,11H,5-6H2,1H3/t7-/m1/s1
InChIKeyRTKJPJZEDKCFFE-SSDOTTSWSA-N
XLogP-0.75
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-hydroxy-3-methoxypropyl]pyridazin-3-one?
The IUPAC name of 2-[(2R)-2-hydroxy-3-methoxypropyl]pyridazin-3-one (CID 123747839) is 2-[(2R)-2-hydroxy-3-methoxypropyl]pyridazin-3-one.
What is the SMILES notation for 2-[(2R)-2-hydroxy-3-methoxypropyl]pyridazin-3-one?
The canonical SMILES for 2-[(2R)-2-hydroxy-3-methoxypropyl]pyridazin-3-one is COC[C@H](O)Cn1ncccc1=O.
What is the InChIKey of 2-[(2R)-2-hydroxy-3-methoxypropyl]pyridazin-3-one?
The InChIKey is RTKJPJZEDKCFFE-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-13-6-7(11)5-10-8(12)3-2-4-9-10/h2-4,7,11H,5-6H2,1H3/t7-/m1/s1.
What are the key properties of 2-[(2R)-2-hydroxy-3-methoxypropyl]pyridazin-3-one?
2-[(2R)-2-hydroxy-3-methoxypropyl]pyridazin-3-one has a molecular weight of 184.20 g/mol, XLogP of -0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-hydroxy-3-methoxypropyl]pyridazin-3-one is sourced from PubChem (CID 123747839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).