3-methyl-5-naphthalen-2-yl-2-phenylpyrazine

C21H16N2 — CID 58991358

IUPAC3-methyl-5-naphthalen-2-yl-2-phenylpyrazine
SMILESCc1nc(-c2ccc3ccccc3c2)cnc1-c1ccccc1
InChIInChI=1S/C21H16N2/c1-15-21(17-8-3-2-4-9-17)22-14-20(23-15)19-12-11-16-7-5-6-10-18(16)13-19/h2-14H,1H3
InChIKeyVVYJLLASTBNLPY-UHFFFAOYSA-N
MW296.37 g/mol
LogP5.27
Rot. Bonds2

About 3-methyl-5-naphthalen-2-yl-2-phenylpyrazine

3-methyl-5-naphthalen-2-yl-2-phenylpyrazine (PubChem CID 58991358) has the molecular formula C21H16N2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-methyl-5-naphthalen-2-yl-2-phenylpyrazine.

Molecular Properties

Compound Name3-methyl-5-naphthalen-2-yl-2-phenylpyrazine
PubChem CID58991358
Molecular FormulaC21H16N2
Molecular Weight296.37 g/mol
Exact Mass296.13
IUPAC Name3-methyl-5-naphthalen-2-yl-2-phenylpyrazine
SMILESCc1nc(-c2ccc3ccccc3c2)cnc1-c1ccccc1
InChIInChI=1S/C21H16N2/c1-15-21(17-8-3-2-4-9-17)22-14-20(23-15)19-12-11-16-7-5-6-10-18(16)13-19/h2-14H,1H3
InChIKeyVVYJLLASTBNLPY-UHFFFAOYSA-N
XLogP5.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.37
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-naphthalen-2-yl-2-phenylpyrazine?
The IUPAC name of 3-methyl-5-naphthalen-2-yl-2-phenylpyrazine (CID 58991358) is 3-methyl-5-naphthalen-2-yl-2-phenylpyrazine.
What is the SMILES notation for 3-methyl-5-naphthalen-2-yl-2-phenylpyrazine?
The canonical SMILES for 3-methyl-5-naphthalen-2-yl-2-phenylpyrazine is Cc1nc(-c2ccc3ccccc3c2)cnc1-c1ccccc1.
What is the InChIKey of 3-methyl-5-naphthalen-2-yl-2-phenylpyrazine?
The InChIKey is VVYJLLASTBNLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2/c1-15-21(17-8-3-2-4-9-17)22-14-20(23-15)19-12-11-16-7-5-6-10-18(16)13-19/h2-14H,1H3.
What are the key properties of 3-methyl-5-naphthalen-2-yl-2-phenylpyrazine?
3-methyl-5-naphthalen-2-yl-2-phenylpyrazine has a molecular weight of 296.37 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-naphthalen-2-yl-2-phenylpyrazine is sourced from PubChem (CID 58991358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).