6,6-dimethoxy-2,5-dihydro-1H-pyrazine

C6H12N2O2 — CID 90722026

IUPAC6,6-dimethoxy-2,5-dihydro-1H-pyrazine
SMILESCOC1(OC)CN=CCN1
InChIInChI=1S/C6H12N2O2/c1-9-6(10-2)5-7-3-4-8-6/h3,8H,4-5H2,1-2H3
InChIKeyWTMJEAWHKAOHHA-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.39
Rot. Bonds2

About 6,6-dimethoxy-2,5-dihydro-1H-pyrazine

6,6-dimethoxy-2,5-dihydro-1H-pyrazine (PubChem CID 90722026) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 6,6-dimethoxy-2,5-dihydro-1H-pyrazine.

Molecular Properties

Compound Name6,6-dimethoxy-2,5-dihydro-1H-pyrazine
PubChem CID90722026
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name6,6-dimethoxy-2,5-dihydro-1H-pyrazine
SMILESCOC1(OC)CN=CCN1
InChIInChI=1S/C6H12N2O2/c1-9-6(10-2)5-7-3-4-8-6/h3,8H,4-5H2,1-2H3
InChIKeyWTMJEAWHKAOHHA-UHFFFAOYSA-N
XLogP-0.39
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
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 6,6-dimethoxy-2,5-dihydro-1H-pyrazine?
The IUPAC name of 6,6-dimethoxy-2,5-dihydro-1H-pyrazine (CID 90722026) is 6,6-dimethoxy-2,5-dihydro-1H-pyrazine.
What is the SMILES notation for 6,6-dimethoxy-2,5-dihydro-1H-pyrazine?
The canonical SMILES for 6,6-dimethoxy-2,5-dihydro-1H-pyrazine is COC1(OC)CN=CCN1.
What is the InChIKey of 6,6-dimethoxy-2,5-dihydro-1H-pyrazine?
The InChIKey is WTMJEAWHKAOHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-9-6(10-2)5-7-3-4-8-6/h3,8H,4-5H2,1-2H3.
What are the key properties of 6,6-dimethoxy-2,5-dihydro-1H-pyrazine?
6,6-dimethoxy-2,5-dihydro-1H-pyrazine has a molecular weight of 144.17 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethoxy-2,5-dihydro-1H-pyrazine is sourced from PubChem (CID 90722026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).