acetonitrile;molecular nitrogen

C2H3N3 — CID 142623537

IUPACacetonitrile;molecular nitrogen
SMILESCC#N.N#N
InChIInChI=1S/C2H3N.N2/c1-2-3;1-2/h1H3;
InChIKeyMTGAASUZGVBUHL-UHFFFAOYSA-N
MW69.07 g/mol
LogP0.56
Rot. Bonds

About acetonitrile;molecular nitrogen

acetonitrile;molecular nitrogen (PubChem CID 142623537) has the molecular formula C2H3N3 and a molecular weight of 69.07 g/mol. Its IUPAC name is acetonitrile;molecular nitrogen.

Molecular Properties

Compound Nameacetonitrile;molecular nitrogen
PubChem CID142623537
Molecular FormulaC2H3N3
Molecular Weight69.07 g/mol
Exact Mass69.03
IUPAC Nameacetonitrile;molecular nitrogen
SMILESCC#N.N#N
InChIInChI=1S/C2H3N.N2/c1-2-3;1-2/h1H3;
InChIKeyMTGAASUZGVBUHL-UHFFFAOYSA-N
XLogP0.56
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50069.07
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

Acetonitrile cyanide
CID 157379354
Acetonitrile azide
CID 160664687

Frequently Asked Questions

What is the IUPAC name of acetonitrile;molecular nitrogen?
The IUPAC name of acetonitrile;molecular nitrogen (CID 142623537) is acetonitrile;molecular nitrogen.
What is the SMILES notation for acetonitrile;molecular nitrogen?
The canonical SMILES for acetonitrile;molecular nitrogen is CC#N.N#N.
What is the InChIKey of acetonitrile;molecular nitrogen?
The InChIKey is MTGAASUZGVBUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N.N2/c1-2-3;1-2/h1H3;.
What are the key properties of acetonitrile;molecular nitrogen?
acetonitrile;molecular nitrogen has a molecular weight of 69.07 g/mol, XLogP of 0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;molecular nitrogen is sourced from PubChem (CID 142623537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).