2-butylpyrazine

C8H12N2 — CID 528050

IUPAC2-butylpyrazine
SMILESCCCCc1cnccn1
InChIInChI=1S/C8H12N2/c1-2-3-4-8-7-9-5-6-10-8/h5-7H,2-4H2,1H3
InChIKeyTVAVRPSANVGCNH-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.82
Rot. Bonds3

About 2-butylpyrazine

2-butylpyrazine (PubChem CID 528050) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-butylpyrazine.

Molecular Properties

Compound Name2-butylpyrazine
PubChem CID528050
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-butylpyrazine
SMILESCCCCc1cnccn1
InChIInChI=1S/C8H12N2/c1-2-3-4-8-7-9-5-6-10-8/h5-7H,2-4H2,1H3
InChIKeyTVAVRPSANVGCNH-UHFFFAOYSA-N
XLogP1.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butylpyrazine?
The IUPAC name of 2-butylpyrazine (CID 528050) is 2-butylpyrazine.
What is the SMILES notation for 2-butylpyrazine?
The canonical SMILES for 2-butylpyrazine is CCCCc1cnccn1.
What is the InChIKey of 2-butylpyrazine?
The InChIKey is TVAVRPSANVGCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-3-4-8-7-9-5-6-10-8/h5-7H,2-4H2,1H3.
What are the key properties of 2-butylpyrazine?
2-butylpyrazine has a molecular weight of 136.20 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylpyrazine is sourced from PubChem (CID 528050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).