2-[(2-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine

C15H17FN2O — CID 174466580

IUPAC2-[(2-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine
SMILESCC(C)(C)Oc1nccnc1Cc1ccccc1F
InChIInChI=1S/C15H17FN2O/c1-15(2,3)19-14-13(17-8-9-18-14)10-11-6-4-5-7-12(11)16/h4-9H,10H2,1-3H3
InChIKeyGLGLURKNQLZMNH-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.38
Rot. Bonds3

About 2-[(2-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine

2-[(2-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine (PubChem CID 174466580) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine
PubChem CID174466580
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name2-[(2-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine
SMILESCC(C)(C)Oc1nccnc1Cc1ccccc1F
InChIInChI=1S/C15H17FN2O/c1-15(2,3)19-14-13(17-8-9-18-14)10-11-6-4-5-7-12(11)16/h4-9H,10H2,1-3H3
InChIKeyGLGLURKNQLZMNH-UHFFFAOYSA-N
XLogP3.38
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine (CID 174466580) is 2-[(2-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine is CC(C)(C)Oc1nccnc1Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine?
The InChIKey is GLGLURKNQLZMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-15(2,3)19-14-13(17-8-9-18-14)10-11-6-4-5-7-12(11)16/h4-9H,10H2,1-3H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine?
2-[(2-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine has a molecular weight of 260.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine is sourced from PubChem (CID 174466580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).