2-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazine

C15H18N2O — CID 175184638

IUPAC2-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazine
SMILESCc1cc(-c2cnccn2)ccc1OC(C)(C)C
InChIInChI=1S/C15H18N2O/c1-11-9-12(13-10-16-7-8-17-13)5-6-14(11)18-15(2,3)4/h5-10H,1-4H3
InChIKeyGHSRTUVLGIDGDO-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.63
Rot. Bonds2

About 2-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazine

2-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazine (PubChem CID 175184638) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazine.

Molecular Properties

Compound Name2-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazine
PubChem CID175184638
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazine
SMILESCc1cc(-c2cnccn2)ccc1OC(C)(C)C
InChIInChI=1S/C15H18N2O/c1-11-9-12(13-10-16-7-8-17-13)5-6-14(11)18-15(2,3)4/h5-10H,1-4H3
InChIKeyGHSRTUVLGIDGDO-UHFFFAOYSA-N
XLogP3.63
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazine?
The IUPAC name of 2-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazine (CID 175184638) is 2-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazine.
What is the SMILES notation for 2-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazine?
The canonical SMILES for 2-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazine is Cc1cc(-c2cnccn2)ccc1OC(C)(C)C.
What is the InChIKey of 2-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazine?
The InChIKey is GHSRTUVLGIDGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-9-12(13-10-16-7-8-17-13)5-6-14(11)18-15(2,3)4/h5-10H,1-4H3.
What are the key properties of 2-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazine?
2-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazine has a molecular weight of 242.32 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazine is sourced from PubChem (CID 175184638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).