2-(2-methoxypropyl)pyridazin-3-one

C8H12N2O2 — CID 131110513

IUPAC2-(2-methoxypropyl)pyridazin-3-one
SMILESCOC(C)Cn1ncccc1=O
InChIInChI=1S/C8H12N2O2/c1-7(12-2)6-10-8(11)4-3-5-9-10/h3-5,7H,6H2,1-2H3
InChIKeyLNXFXFCAEDQXPX-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.28
Rot. Bonds3

About 2-(2-methoxypropyl)pyridazin-3-one

2-(2-methoxypropyl)pyridazin-3-one (PubChem CID 131110513) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(2-methoxypropyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-methoxypropyl)pyridazin-3-one
PubChem CID131110513
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-(2-methoxypropyl)pyridazin-3-one
SMILESCOC(C)Cn1ncccc1=O
InChIInChI=1S/C8H12N2O2/c1-7(12-2)6-10-8(11)4-3-5-9-10/h3-5,7H,6H2,1-2H3
InChIKeyLNXFXFCAEDQXPX-UHFFFAOYSA-N
XLogP0.28
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl (6-oxopyridazin-1(6H)-yl)acetate
CID 45496282
2-[2-(2,2,3,3,3-Pentafluoropropoxy)ethyl]pyridazin-3-one
CID 99844147
2-(3-Fluoro-2-hydroxypropyl)-2,3-dihydropyridazin-3-one
CID 165748136
2-(Oxiran-2-ylmethyl)pyridazin-3-one
CID 62849071
2-(2-Hydroxybutyl)pyridazin-3-one
CID 62849611
2-(2-methoxy-ethyl)-5-methoxy-2H-pyridazin-3-one
CID 66865610
2-(2-Hydroxy-3-methoxypropyl)pyridazin-3-one
CID 91026591
2-(2-Methoxyethyl)pyridazin-3-one
CID 91288626
2-[(2R)-2-hydroxy-3-methoxypropyl]pyridazin-3-one
CID 123747839
2-(2-Methoxyethyl)-5-methylpyridazin-3-one
CID 131063338
2-[2-(2-Methoxyethoxy)ethyl]pyridazin-3-one
CID 141119119
2-[(2S)-2-hydroxy-3-methoxypropyl]pyridazin-3-one
CID 141267631

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropyl)pyridazin-3-one?
The IUPAC name of 2-(2-methoxypropyl)pyridazin-3-one (CID 131110513) is 2-(2-methoxypropyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-methoxypropyl)pyridazin-3-one?
The canonical SMILES for 2-(2-methoxypropyl)pyridazin-3-one is COC(C)Cn1ncccc1=O.
What is the InChIKey of 2-(2-methoxypropyl)pyridazin-3-one?
The InChIKey is LNXFXFCAEDQXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-7(12-2)6-10-8(11)4-3-5-9-10/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-(2-methoxypropyl)pyridazin-3-one?
2-(2-methoxypropyl)pyridazin-3-one has a molecular weight of 168.20 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropyl)pyridazin-3-one is sourced from PubChem (CID 131110513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).