3-(2,2-dimethoxyethyl)pyridazine

C8H12N2O2 — CID 175308246

IUPAC3-(2,2-dimethoxyethyl)pyridazine
SMILESCOC(Cc1cccnn1)OC
InChIInChI=1S/C8H12N2O2/c1-11-8(12-2)6-7-4-3-5-9-10-7/h3-5,8H,6H2,1-2H3
InChIKeyFXPUXAHNTSBAKS-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.64
Rot. Bonds4

About 3-(2,2-dimethoxyethyl)pyridazine

3-(2,2-dimethoxyethyl)pyridazine (PubChem CID 175308246) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-(2,2-dimethoxyethyl)pyridazine.

Molecular Properties

Compound Name3-(2,2-dimethoxyethyl)pyridazine
PubChem CID175308246
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-(2,2-dimethoxyethyl)pyridazine
SMILESCOC(Cc1cccnn1)OC
InChIInChI=1S/C8H12N2O2/c1-11-8(12-2)6-7-4-3-5-9-10-7/h3-5,8H,6H2,1-2H3
InChIKeyFXPUXAHNTSBAKS-UHFFFAOYSA-N
XLogP0.64
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-pyridazin-3-ylpropan-2-ol
CID 21265829
2-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine
CID 106895779
N,3-dimethyl-1-pyridazin-3-ylbutan-2-amine
CID 63202272
N-propyl-1-pyridazin-3-ylpropan-2-amine
CID 63200569
3-(ethoxymethyl)pyridazine
CID 68982284
3-(2,2-dimethoxyethyl)pyridine
CID 118705230
3-propylpyridazine
CID 90878505
N-methyl-N-(pyridazin-3-ylmethyl)ethanamine
CID 70660670
1-(2-methoxyphenyl)-N-(pyridazin-3-ylmethyl)propan-2-amine
CID 106895370
3-butylpyridazine;hydrochloride
CID 121232273
3-[(3-methoxyphenyl)methyl]pyridazine
CID 117106572
methyl 2-(pyridazin-3-ylmethylamino)butanoate
CID 106895144

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethoxyethyl)pyridazine?
The IUPAC name of 3-(2,2-dimethoxyethyl)pyridazine (CID 175308246) is 3-(2,2-dimethoxyethyl)pyridazine.
What is the SMILES notation for 3-(2,2-dimethoxyethyl)pyridazine?
The canonical SMILES for 3-(2,2-dimethoxyethyl)pyridazine is COC(Cc1cccnn1)OC.
What is the InChIKey of 3-(2,2-dimethoxyethyl)pyridazine?
The InChIKey is FXPUXAHNTSBAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-11-8(12-2)6-7-4-3-5-9-10-7/h3-5,8H,6H2,1-2H3.
What are the key properties of 3-(2,2-dimethoxyethyl)pyridazine?
3-(2,2-dimethoxyethyl)pyridazine has a molecular weight of 168.20 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethoxyethyl)pyridazine is sourced from PubChem (CID 175308246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).