3-(3-methylnaphthalen-2-yl)pyrazine-2-carbonitrile

C16H11N3 — CID 58050076

IUPAC3-(3-methylnaphthalen-2-yl)pyrazine-2-carbonitrile
SMILESCc1cc2ccccc2cc1-c1nccnc1C#N
InChIInChI=1S/C16H11N3/c1-11-8-12-4-2-3-5-13(12)9-14(11)16-15(10-17)18-6-7-19-16/h2-9H,1H3
InChIKeySGAHZRCACYXZAW-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.48
Rot. Bonds1

About 3-(3-methylnaphthalen-2-yl)pyrazine-2-carbonitrile

3-(3-methylnaphthalen-2-yl)pyrazine-2-carbonitrile (PubChem CID 58050076) has the molecular formula C16H11N3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(3-methylnaphthalen-2-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(3-methylnaphthalen-2-yl)pyrazine-2-carbonitrile
PubChem CID58050076
Molecular FormulaC16H11N3
Molecular Weight245.28 g/mol
Exact Mass245.10
IUPAC Name3-(3-methylnaphthalen-2-yl)pyrazine-2-carbonitrile
SMILESCc1cc2ccccc2cc1-c1nccnc1C#N
InChIInChI=1S/C16H11N3/c1-11-8-12-4-2-3-5-13(12)9-14(11)16-15(10-17)18-6-7-19-16/h2-9H,1H3
InChIKeySGAHZRCACYXZAW-UHFFFAOYSA-N
XLogP3.48
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylquinolin-5-yl)pyrazine-2-carbonitrile
CID 29026101
3-naphthalen-2-yloxypyrazine-2-carbonitrile
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2-(3-methylnaphthalen-2-yl)-1,3-thiazole
CID 144827161
3-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrazine-2-carbonitrile;hydrochloride
CID 118205334
3-(4-hydroxy-3-methylphenyl)quinoline-2-carbonitrile
CID 83129970
3,4-dimethylpyridine-2-carbonitrile
CID 23003409
2-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile
CID 70343483
3-(1H-phenanthro[9,10-d]imidazol-2-yl)pyrazine-2-carbonitrile
CID 11602200
N-[3-(3-cyanopyrazin-2-yl)phenyl]acetamide
CID 50983123
2-[4-(3-methylnaphthalen-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 135247397
ethane;3-fluoro-4-methylpyridine-2-carbonitrile
CID 156725109
3-(4-amino-3-methylphenoxy)pyrazine-2-carbonitrile
CID 62672549

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylnaphthalen-2-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-(3-methylnaphthalen-2-yl)pyrazine-2-carbonitrile (CID 58050076) is 3-(3-methylnaphthalen-2-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(3-methylnaphthalen-2-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(3-methylnaphthalen-2-yl)pyrazine-2-carbonitrile is Cc1cc2ccccc2cc1-c1nccnc1C#N.
What is the InChIKey of 3-(3-methylnaphthalen-2-yl)pyrazine-2-carbonitrile?
The InChIKey is SGAHZRCACYXZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3/c1-11-8-12-4-2-3-5-13(12)9-14(11)16-15(10-17)18-6-7-19-16/h2-9H,1H3.
What are the key properties of 3-(3-methylnaphthalen-2-yl)pyrazine-2-carbonitrile?
3-(3-methylnaphthalen-2-yl)pyrazine-2-carbonitrile has a molecular weight of 245.28 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylnaphthalen-2-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 58050076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).