3-(2,2-dimethoxyethyl)-2,5-dimethylpyrazine

C10H16N2O2 — CID 13227317

IUPAC3-(2,2-dimethoxyethyl)-2,5-dimethylpyrazine
SMILESCOC(Cc1nc(C)cnc1C)OC
InChIInChI=1S/C10H16N2O2/c1-7-6-11-8(2)9(12-7)5-10(13-3)14-4/h6,10H,5H2,1-4H3
InChIKeyHKPBWJNEVOPXIF-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.25
Rot. Bonds4

About 3-(2,2-dimethoxyethyl)-2,5-dimethylpyrazine

3-(2,2-dimethoxyethyl)-2,5-dimethylpyrazine (PubChem CID 13227317) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(2,2-dimethoxyethyl)-2,5-dimethylpyrazine.

Molecular Properties

Compound Name3-(2,2-dimethoxyethyl)-2,5-dimethylpyrazine
PubChem CID13227317
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-(2,2-dimethoxyethyl)-2,5-dimethylpyrazine
SMILESCOC(Cc1nc(C)cnc1C)OC
InChIInChI=1S/C10H16N2O2/c1-7-6-11-8(2)9(12-7)5-10(13-3)14-4/h6,10H,5H2,1-4H3
InChIKeyHKPBWJNEVOPXIF-UHFFFAOYSA-N
XLogP1.25
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.25
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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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethoxyethyl)-2,5-dimethylpyrazine?
The IUPAC name of 3-(2,2-dimethoxyethyl)-2,5-dimethylpyrazine (CID 13227317) is 3-(2,2-dimethoxyethyl)-2,5-dimethylpyrazine.
What is the SMILES notation for 3-(2,2-dimethoxyethyl)-2,5-dimethylpyrazine?
The canonical SMILES for 3-(2,2-dimethoxyethyl)-2,5-dimethylpyrazine is COC(Cc1nc(C)cnc1C)OC.
What is the InChIKey of 3-(2,2-dimethoxyethyl)-2,5-dimethylpyrazine?
The InChIKey is HKPBWJNEVOPXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7-6-11-8(2)9(12-7)5-10(13-3)14-4/h6,10H,5H2,1-4H3.
What are the key properties of 3-(2,2-dimethoxyethyl)-2,5-dimethylpyrazine?
3-(2,2-dimethoxyethyl)-2,5-dimethylpyrazine has a molecular weight of 196.25 g/mol, XLogP of 1.25, 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)-2,5-dimethylpyrazine is sourced from PubChem (CID 13227317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).