3-naphthalen-2-yloxypyrazine-2-carbonitrile

C15H9N3O — CID 60620344

IUPAC3-naphthalen-2-yloxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Oc1ccc2ccccc2c1
InChIInChI=1S/C15H9N3O/c16-10-14-15(18-8-7-17-14)19-13-6-5-11-3-1-2-4-12(11)9-13/h1-9H
InChIKeyLAHNJNRTTCAQKD-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.29
Rot. Bonds2

About 3-naphthalen-2-yloxypyrazine-2-carbonitrile

3-naphthalen-2-yloxypyrazine-2-carbonitrile (PubChem CID 60620344) has the molecular formula C15H9N3O and a molecular weight of 247.26 g/mol. Its IUPAC name is 3-naphthalen-2-yloxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-naphthalen-2-yloxypyrazine-2-carbonitrile
PubChem CID60620344
Molecular FormulaC15H9N3O
Molecular Weight247.26 g/mol
Exact Mass247.07
IUPAC Name3-naphthalen-2-yloxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Oc1ccc2ccccc2c1
InChIInChI=1S/C15H9N3O/c16-10-14-15(18-8-7-17-14)19-13-6-5-11-3-1-2-4-12(11)9-13/h1-9H
InChIKeyLAHNJNRTTCAQKD-UHFFFAOYSA-N
XLogP3.29
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yloxypyrazine-2-carbonitrile?
The IUPAC name of 3-naphthalen-2-yloxypyrazine-2-carbonitrile (CID 60620344) is 3-naphthalen-2-yloxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-naphthalen-2-yloxypyrazine-2-carbonitrile?
The canonical SMILES for 3-naphthalen-2-yloxypyrazine-2-carbonitrile is N#Cc1nccnc1Oc1ccc2ccccc2c1.
What is the InChIKey of 3-naphthalen-2-yloxypyrazine-2-carbonitrile?
The InChIKey is LAHNJNRTTCAQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O/c16-10-14-15(18-8-7-17-14)19-13-6-5-11-3-1-2-4-12(11)9-13/h1-9H.
What are the key properties of 3-naphthalen-2-yloxypyrazine-2-carbonitrile?
3-naphthalen-2-yloxypyrazine-2-carbonitrile has a molecular weight of 247.26 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yloxypyrazine-2-carbonitrile is sourced from PubChem (CID 60620344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).