formonitrile;oxadiazole

C3H3N3O — CID 67835424

IUPACformonitrile;oxadiazole
SMILESC#N.c1conn1
InChIInChI=1S/C2H2N2O.CHN/c1-2-5-4-3-1;1-2/h1-2H;1H
InChIKeyCJVHRAQAZIEXQT-UHFFFAOYSA-N
MW97.08 g/mol
LogP0.21
Rot. Bonds

About formonitrile;oxadiazole

formonitrile;oxadiazole (PubChem CID 67835424) has the molecular formula C3H3N3O and a molecular weight of 97.08 g/mol. Its IUPAC name is formonitrile;oxadiazole.

Molecular Properties

Compound Nameformonitrile;oxadiazole
PubChem CID67835424
Molecular FormulaC3H3N3O
Molecular Weight97.08 g/mol
Exact Mass97.03
IUPAC Nameformonitrile;oxadiazole
SMILESC#N.c1conn1
InChIInChI=1S/C2H2N2O.CHN/c1-2-5-4-3-1;1-2/h1-2H;1H
InChIKeyCJVHRAQAZIEXQT-UHFFFAOYSA-N
XLogP0.21
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.08
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of formonitrile;oxadiazole?
The IUPAC name of formonitrile;oxadiazole (CID 67835424) is formonitrile;oxadiazole.
What is the SMILES notation for formonitrile;oxadiazole?
The canonical SMILES for formonitrile;oxadiazole is C#N.c1conn1.
What is the InChIKey of formonitrile;oxadiazole?
The InChIKey is CJVHRAQAZIEXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N2O.CHN/c1-2-5-4-3-1;1-2/h1-2H;1H.
What are the key properties of formonitrile;oxadiazole?
formonitrile;oxadiazole has a molecular weight of 97.08 g/mol, XLogP of 0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formonitrile;oxadiazole is sourced from PubChem (CID 67835424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).