acetonitrile;azane;ethanol;hydrate

C4H14N2O2 — CID 173069491

IUPACacetonitrile;azane;ethanol;hydrate
SMILESCC#N.CCO.N.O
InChIInChI=1S/C2H3N.C2H6O.H3N.H2O/c2*1-2-3;;/h1H3;3H,2H2,1H3;1H3;1H2
InChIKeyUOBDDMLOTKJZSM-UHFFFAOYSA-N
MW122.17 g/mol
LogP-0.13
Rot. Bonds

About acetonitrile;azane;ethanol;hydrate

acetonitrile;azane;ethanol;hydrate (PubChem CID 173069491) has the molecular formula C4H14N2O2 and a molecular weight of 122.17 g/mol. Its IUPAC name is acetonitrile;azane;ethanol;hydrate.

Molecular Properties

Compound Nameacetonitrile;azane;ethanol;hydrate
PubChem CID173069491
Molecular FormulaC4H14N2O2
Molecular Weight122.17 g/mol
Exact Mass122.11
IUPAC Nameacetonitrile;azane;ethanol;hydrate
SMILESCC#N.CCO.N.O
InChIInChI=1S/C2H3N.C2H6O.H3N.H2O/c2*1-2-3;;/h1H3;3H,2H2,1H3;1H3;1H2
InChIKeyUOBDDMLOTKJZSM-UHFFFAOYSA-N
XLogP-0.13
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;azane;ethanol;hydrate?
The IUPAC name of acetonitrile;azane;ethanol;hydrate (CID 173069491) is acetonitrile;azane;ethanol;hydrate.
What is the SMILES notation for acetonitrile;azane;ethanol;hydrate?
The canonical SMILES for acetonitrile;azane;ethanol;hydrate is CC#N.CCO.N.O.
What is the InChIKey of acetonitrile;azane;ethanol;hydrate?
The InChIKey is UOBDDMLOTKJZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N.C2H6O.H3N.H2O/c2*1-2-3;;/h1H3;3H,2H2,1H3;1H3;1H2.
What are the key properties of acetonitrile;azane;ethanol;hydrate?
acetonitrile;azane;ethanol;hydrate has a molecular weight of 122.17 g/mol, XLogP of -0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;azane;ethanol;hydrate is sourced from PubChem (CID 173069491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).