ethanol;pyrazine;hydrate

C6H12N2O2 — CID 175344980

IUPACethanol;pyrazine;hydrate
SMILESCCO.O.c1cnccn1
InChIInChI=1S/C4H4N2.C2H6O.H2O/c1-2-6-4-3-5-1;1-2-3;/h1-4H;3H,2H2,1H3;1H2
InChIKeyZDEQFNBXCVVOJX-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.35
Rot. Bonds

About ethanol;pyrazine;hydrate

ethanol;pyrazine;hydrate (PubChem CID 175344980) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is ethanol;pyrazine;hydrate.

Molecular Properties

Compound Nameethanol;pyrazine;hydrate
PubChem CID175344980
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Nameethanol;pyrazine;hydrate
SMILESCCO.O.c1cnccn1
InChIInChI=1S/C4H4N2.C2H6O.H2O/c1-2-6-4-3-5-1;1-2-3;/h1-4H;3H,2H2,1H3;1H2
InChIKeyZDEQFNBXCVVOJX-UHFFFAOYSA-N
XLogP-0.35
TPSA77.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethanol;pyrazine;hydrate?
The IUPAC name of ethanol;pyrazine;hydrate (CID 175344980) is ethanol;pyrazine;hydrate.
What is the SMILES notation for ethanol;pyrazine;hydrate?
The canonical SMILES for ethanol;pyrazine;hydrate is CCO.O.c1cnccn1.
What is the InChIKey of ethanol;pyrazine;hydrate?
The InChIKey is ZDEQFNBXCVVOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.C2H6O.H2O/c1-2-6-4-3-5-1;1-2-3;/h1-4H;3H,2H2,1H3;1H2.
What are the key properties of ethanol;pyrazine;hydrate?
ethanol;pyrazine;hydrate has a molecular weight of 144.17 g/mol, XLogP of -0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;pyrazine;hydrate is sourced from PubChem (CID 175344980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).