formonitrile;quinoxaline

C9H7N3 — CID 70466882

IUPACformonitrile;quinoxaline
SMILESC#N.c1ccc2nccnc2c1
InChIInChI=1S/C8H6N2.CHN/c1-2-4-8-7(3-1)9-5-6-10-8;1-2/h1-6H;1H
InChIKeyVNDQZYPMGPJSLO-UHFFFAOYSA-N
MW157.18 g/mol
LogP1.77
Rot. Bonds

About formonitrile;quinoxaline

formonitrile;quinoxaline (PubChem CID 70466882) has the molecular formula C9H7N3 and a molecular weight of 157.18 g/mol. Its IUPAC name is formonitrile;quinoxaline.

Molecular Properties

Compound Nameformonitrile;quinoxaline
PubChem CID70466882
Molecular FormulaC9H7N3
Molecular Weight157.18 g/mol
Exact Mass157.06
IUPAC Nameformonitrile;quinoxaline
SMILESC#N.c1ccc2nccnc2c1
InChIInChI=1S/C8H6N2.CHN/c1-2-4-8-7(3-1)9-5-6-10-8;1-2/h1-6H;1H
InChIKeyVNDQZYPMGPJSLO-UHFFFAOYSA-N
XLogP1.77
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of formonitrile;quinoxaline?
The IUPAC name of formonitrile;quinoxaline (CID 70466882) is formonitrile;quinoxaline.
What is the SMILES notation for formonitrile;quinoxaline?
The canonical SMILES for formonitrile;quinoxaline is C#N.c1ccc2nccnc2c1.
What is the InChIKey of formonitrile;quinoxaline?
The InChIKey is VNDQZYPMGPJSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.CHN/c1-2-4-8-7(3-1)9-5-6-10-8;1-2/h1-6H;1H.
What are the key properties of formonitrile;quinoxaline?
formonitrile;quinoxaline has a molecular weight of 157.18 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formonitrile;quinoxaline is sourced from PubChem (CID 70466882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).