2-naphthalen-1-yl-2-pyrazin-2-ylacetonitrile

C16H11N3 — CID 116833408

IUPAC2-naphthalen-1-yl-2-pyrazin-2-ylacetonitrile
SMILESN#CC(c1cnccn1)c1cccc2ccccc12
InChIInChI=1S/C16H11N3/c17-10-15(16-11-18-8-9-19-16)14-7-3-5-12-4-1-2-6-13(12)14/h1-9,11,15H
InChIKeyCOZZBFHAGGILRZ-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.29
Rot. Bonds2

About 2-naphthalen-1-yl-2-pyrazin-2-ylacetonitrile

2-naphthalen-1-yl-2-pyrazin-2-ylacetonitrile (PubChem CID 116833408) has the molecular formula C16H11N3 and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-naphthalen-1-yl-2-pyrazin-2-ylacetonitrile.

Molecular Properties

Compound Name2-naphthalen-1-yl-2-pyrazin-2-ylacetonitrile
PubChem CID116833408
Molecular FormulaC16H11N3
Molecular Weight245.29 g/mol
Exact Mass245.10
IUPAC Name2-naphthalen-1-yl-2-pyrazin-2-ylacetonitrile
SMILESN#CC(c1cnccn1)c1cccc2ccccc12
InChIInChI=1S/C16H11N3/c17-10-15(16-11-18-8-9-19-16)14-7-3-5-12-4-1-2-6-13(12)14/h1-9,11,15H
InChIKeyCOZZBFHAGGILRZ-UHFFFAOYSA-N
XLogP3.29
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-2-pyrazin-2-ylacetonitrile?
The IUPAC name of 2-naphthalen-1-yl-2-pyrazin-2-ylacetonitrile (CID 116833408) is 2-naphthalen-1-yl-2-pyrazin-2-ylacetonitrile.
What is the SMILES notation for 2-naphthalen-1-yl-2-pyrazin-2-ylacetonitrile?
The canonical SMILES for 2-naphthalen-1-yl-2-pyrazin-2-ylacetonitrile is N#CC(c1cnccn1)c1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-yl-2-pyrazin-2-ylacetonitrile?
The InChIKey is COZZBFHAGGILRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3/c17-10-15(16-11-18-8-9-19-16)14-7-3-5-12-4-1-2-6-13(12)14/h1-9,11,15H.
What are the key properties of 2-naphthalen-1-yl-2-pyrazin-2-ylacetonitrile?
2-naphthalen-1-yl-2-pyrazin-2-ylacetonitrile has a molecular weight of 245.29 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-2-pyrazin-2-ylacetonitrile is sourced from PubChem (CID 116833408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).