2-methyl-5-phenylmethoxypyrazine

C12H12N2O — CID 129054090

IUPAC2-methyl-5-phenylmethoxypyrazine
SMILESCc1cnc(OCc2ccccc2)cn1
InChIInChI=1S/C12H12N2O/c1-10-7-14-12(8-13-10)15-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyCUNYPMXCVWIONF-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.36
Rot. Bonds3

About 2-methyl-5-phenylmethoxypyrazine

2-methyl-5-phenylmethoxypyrazine (PubChem CID 129054090) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-methyl-5-phenylmethoxypyrazine.

Molecular Properties

Compound Name2-methyl-5-phenylmethoxypyrazine
PubChem CID129054090
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-methyl-5-phenylmethoxypyrazine
SMILESCc1cnc(OCc2ccccc2)cn1
InChIInChI=1S/C12H12N2O/c1-10-7-14-12(8-13-10)15-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyCUNYPMXCVWIONF-UHFFFAOYSA-N
XLogP2.36
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenylmethoxypyrazine?
The IUPAC name of 2-methyl-5-phenylmethoxypyrazine (CID 129054090) is 2-methyl-5-phenylmethoxypyrazine.
What is the SMILES notation for 2-methyl-5-phenylmethoxypyrazine?
The canonical SMILES for 2-methyl-5-phenylmethoxypyrazine is Cc1cnc(OCc2ccccc2)cn1.
What is the InChIKey of 2-methyl-5-phenylmethoxypyrazine?
The InChIKey is CUNYPMXCVWIONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-10-7-14-12(8-13-10)15-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 2-methyl-5-phenylmethoxypyrazine?
2-methyl-5-phenylmethoxypyrazine has a molecular weight of 200.24 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenylmethoxypyrazine is sourced from PubChem (CID 129054090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).