2-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazine

C9H14N2O — CID 59273469

IUPAC2-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazine
SMILESCc1cnc(OC(C)(C)C)cn1
InChIInChI=1S/C9H14N2O/c1-7-5-11-8(6-10-7)12-9(2,3)4/h5-6H,1-4H3
InChIKeyVRDGGGCRKBNKGS-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.96
Rot. Bonds1

About 2-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazine

2-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazine (PubChem CID 59273469) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazine.

Molecular Properties

Compound Name2-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazine
PubChem CID59273469
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazine
SMILESCc1cnc(OC(C)(C)C)cn1
InChIInChI=1S/C9H14N2O/c1-7-5-11-8(6-10-7)12-9(2,3)4/h5-6H,1-4H3
InChIKeyVRDGGGCRKBNKGS-UHFFFAOYSA-N
XLogP1.96
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazine?
The IUPAC name of 2-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazine (CID 59273469) is 2-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazine.
What is the SMILES notation for 2-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazine?
The canonical SMILES for 2-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazine is Cc1cnc(OC(C)(C)C)cn1.
What is the InChIKey of 2-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazine?
The InChIKey is VRDGGGCRKBNKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-5-11-8(6-10-7)12-9(2,3)4/h5-6H,1-4H3.
What are the key properties of 2-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazine?
2-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazine has a molecular weight of 166.22 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazine is sourced from PubChem (CID 59273469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).