ethanol;pyrazine

C6H10N2O — CID 68904554

IUPACethanol;pyrazine
SMILESCCO.c1cnccn1
InChIInChI=1S/C4H4N2.C2H6O/c1-2-6-4-3-5-1;1-2-3/h1-4H;3H,2H2,1H3
InChIKeyPCSPVOMSYUGXMA-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.48
Rot. Bonds

About ethanol;pyrazine

ethanol;pyrazine (PubChem CID 68904554) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is ethanol;pyrazine.

Molecular Properties

Compound Nameethanol;pyrazine
PubChem CID68904554
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Nameethanol;pyrazine
SMILESCCO.c1cnccn1
InChIInChI=1S/C4H4N2.C2H6O/c1-2-6-4-3-5-1;1-2-3/h1-4H;3H,2H2,1H3
InChIKeyPCSPVOMSYUGXMA-UHFFFAOYSA-N
XLogP0.48
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethanol;pyrazine?
The IUPAC name of ethanol;pyrazine (CID 68904554) is ethanol;pyrazine.
What is the SMILES notation for ethanol;pyrazine?
The canonical SMILES for ethanol;pyrazine is CCO.c1cnccn1.
What is the InChIKey of ethanol;pyrazine?
The InChIKey is PCSPVOMSYUGXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.C2H6O/c1-2-6-4-3-5-1;1-2-3/h1-4H;3H,2H2,1H3.
What are the key properties of ethanol;pyrazine?
ethanol;pyrazine has a molecular weight of 126.16 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;pyrazine is sourced from PubChem (CID 68904554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).