2-pentan-2-ylpyrazine

C9H14N2 — CID 528048

IUPAC2-pentan-2-ylpyrazine
SMILESCCCC(C)c1cnccn1
InChIInChI=1S/C9H14N2/c1-3-4-8(2)9-7-10-5-6-11-9/h5-8H,3-4H2,1-2H3
InChIKeyMRGPJALDSXTAJS-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.38
Rot. Bonds3

About 2-pentan-2-ylpyrazine

2-pentan-2-ylpyrazine (PubChem CID 528048) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-pentan-2-ylpyrazine.

Molecular Properties

Compound Name2-pentan-2-ylpyrazine
PubChem CID528048
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-pentan-2-ylpyrazine
SMILESCCCC(C)c1cnccn1
InChIInChI=1S/C9H14N2/c1-3-4-8(2)9-7-10-5-6-11-9/h5-8H,3-4H2,1-2H3
InChIKeyMRGPJALDSXTAJS-UHFFFAOYSA-N
XLogP2.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 32065
CID 32065
CID 26331
CID 26331
CID 26333
CID 26333
CID 27460
CID 27460
CID 85224
CID 85224
CID 61700
CID 61700
CID 87466
CID 87466
CID 530404
CID 530404
CID 25797
CID 25797
CID 34590
CID 34590
CID 85228
CID 85228
CID 16204532
CID 16204532

Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-ylpyrazine?
The IUPAC name of 2-pentan-2-ylpyrazine (CID 528048) is 2-pentan-2-ylpyrazine.
What is the SMILES notation for 2-pentan-2-ylpyrazine?
The canonical SMILES for 2-pentan-2-ylpyrazine is CCCC(C)c1cnccn1.
What is the InChIKey of 2-pentan-2-ylpyrazine?
The InChIKey is MRGPJALDSXTAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-4-8(2)9-7-10-5-6-11-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-pentan-2-ylpyrazine?
2-pentan-2-ylpyrazine has a molecular weight of 150.22 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-ylpyrazine is sourced from PubChem (CID 528048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).