2-tert-butyl-5-cyclopropylpyrazine

C11H16N2 — CID 90224246

IUPAC2-tert-butyl-5-cyclopropylpyrazine
SMILESCC(C)(C)c1cnc(C2CC2)cn1
InChIInChI=1S/C11H16N2/c1-11(2,3)10-7-12-9(6-13-10)8-4-5-8/h6-8H,4-5H2,1-3H3
InChIKeySHMDMZYFNKYEGL-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.65
Rot. Bonds1

About 2-tert-butyl-5-cyclopropylpyrazine

2-tert-butyl-5-cyclopropylpyrazine (PubChem CID 90224246) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-tert-butyl-5-cyclopropylpyrazine.

Molecular Properties

Compound Name2-tert-butyl-5-cyclopropylpyrazine
PubChem CID90224246
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-tert-butyl-5-cyclopropylpyrazine
SMILESCC(C)(C)c1cnc(C2CC2)cn1
InChIInChI=1S/C11H16N2/c1-11(2,3)10-7-12-9(6-13-10)8-4-5-8/h6-8H,4-5H2,1-3H3
InChIKeySHMDMZYFNKYEGL-UHFFFAOYSA-N
XLogP2.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-cyclopropylpyrazine?
The IUPAC name of 2-tert-butyl-5-cyclopropylpyrazine (CID 90224246) is 2-tert-butyl-5-cyclopropylpyrazine.
What is the SMILES notation for 2-tert-butyl-5-cyclopropylpyrazine?
The canonical SMILES for 2-tert-butyl-5-cyclopropylpyrazine is CC(C)(C)c1cnc(C2CC2)cn1.
What is the InChIKey of 2-tert-butyl-5-cyclopropylpyrazine?
The InChIKey is SHMDMZYFNKYEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-11(2,3)10-7-12-9(6-13-10)8-4-5-8/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-tert-butyl-5-cyclopropylpyrazine?
2-tert-butyl-5-cyclopropylpyrazine has a molecular weight of 176.26 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-cyclopropylpyrazine is sourced from PubChem (CID 90224246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).