2,2-diethoxy-2-pyrazin-2-ylethanol

C10H16N2O3 — CID 572774

IUPAC2,2-diethoxy-2-pyrazin-2-ylethanol
SMILESCCOC(CO)(OCC)c1cnccn1
InChIInChI=1S/C10H16N2O3/c1-3-14-10(8-13,15-4-2)9-7-11-5-6-12-9/h5-7,13H,3-4,8H2,1-2H3
InChIKeyOIIRWTYGVDQFRJ-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.69
Rot. Bonds6

About 2,2-diethoxy-2-pyrazin-2-ylethanol

2,2-diethoxy-2-pyrazin-2-ylethanol (PubChem CID 572774) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2,2-diethoxy-2-pyrazin-2-ylethanol.

Molecular Properties

Compound Name2,2-diethoxy-2-pyrazin-2-ylethanol
PubChem CID572774
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2,2-diethoxy-2-pyrazin-2-ylethanol
SMILESCCOC(CO)(OCC)c1cnccn1
InChIInChI=1S/C10H16N2O3/c1-3-14-10(8-13,15-4-2)9-7-11-5-6-12-9/h5-7,13H,3-4,8H2,1-2H3
InChIKeyOIIRWTYGVDQFRJ-UHFFFAOYSA-N
XLogP0.69
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,2-diethoxy-2-pyrazin-2-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,4-Dioxan-2-yl)pyrazine
CID 67225701
2-[(2S)-1,4-dioxan-2-yl]pyrazine
CID 135043769
5-[(2S)-1,4-dioxan-2-yl]-2,3-dimethylpyrazine
CID 135044773
1-Pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanol
CID 103216825
2-Ethoxy-2-[6-(2-ethoxy-1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propane-1,3-diol
CID 22457939
2-Ethoxy-2-[5-(2-ethoxy-1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propane-1,3-diol
CID 22458061
2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylpyrazine
CID 58328419
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylpyrazine
CID 58328456
Azane;2-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrazine
CID 66892965
2-(2,2-Dimethyl-1,3-dioxolan-4-yl)pyrazine
CID 66892966
2-[Hydroxy-[5-[hydroxy(1-hydroxypropan-2-yloxy)methyl]pyrazin-2-yl]methoxy]propan-1-ol
CID 70154975
2-[Hydroxy-[6-[hydroxy(1-hydroxypropan-2-yloxy)methyl]pyrazin-2-yl]methoxy]propan-1-ol
CID 70156363

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-2-pyrazin-2-ylethanol?
The IUPAC name of 2,2-diethoxy-2-pyrazin-2-ylethanol (CID 572774) is 2,2-diethoxy-2-pyrazin-2-ylethanol.
What is the SMILES notation for 2,2-diethoxy-2-pyrazin-2-ylethanol?
The canonical SMILES for 2,2-diethoxy-2-pyrazin-2-ylethanol is CCOC(CO)(OCC)c1cnccn1.
What is the InChIKey of 2,2-diethoxy-2-pyrazin-2-ylethanol?
The InChIKey is OIIRWTYGVDQFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-14-10(8-13,15-4-2)9-7-11-5-6-12-9/h5-7,13H,3-4,8H2,1-2H3.
What are the key properties of 2,2-diethoxy-2-pyrazin-2-ylethanol?
2,2-diethoxy-2-pyrazin-2-ylethanol has a molecular weight of 212.25 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-2-pyrazin-2-ylethanol is sourced from PubChem (CID 572774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).