1-octyl-2H-pyrazine

C12H22N2 — CID 151518596

IUPAC1-octyl-2H-pyrazine
SMILESCCCCCCCCN1C=CN=CC1
InChIInChI=1S/C12H22N2/c1-2-3-4-5-6-7-10-14-11-8-13-9-12-14/h8-9,11H,2-7,10,12H2,1H3
InChIKeyPTZJPDYQDPXKLI-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.20
Rot. Bonds7

About 1-octyl-2H-pyrazine

1-octyl-2H-pyrazine (PubChem CID 151518596) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-octyl-2H-pyrazine.

Molecular Properties

Compound Name1-octyl-2H-pyrazine
PubChem CID151518596
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-octyl-2H-pyrazine
SMILESCCCCCCCCN1C=CN=CC1
InChIInChI=1S/C12H22N2/c1-2-3-4-5-6-7-10-14-11-8-13-9-12-14/h8-9,11H,2-7,10,12H2,1H3
InChIKeyPTZJPDYQDPXKLI-UHFFFAOYSA-N
XLogP3.20
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-octyl-2H-pyrazine?
The IUPAC name of 1-octyl-2H-pyrazine (CID 151518596) is 1-octyl-2H-pyrazine.
What is the SMILES notation for 1-octyl-2H-pyrazine?
The canonical SMILES for 1-octyl-2H-pyrazine is CCCCCCCCN1C=CN=CC1.
What is the InChIKey of 1-octyl-2H-pyrazine?
The InChIKey is PTZJPDYQDPXKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-2-3-4-5-6-7-10-14-11-8-13-9-12-14/h8-9,11H,2-7,10,12H2,1H3.
What are the key properties of 1-octyl-2H-pyrazine?
1-octyl-2H-pyrazine has a molecular weight of 194.32 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octyl-2H-pyrazine is sourced from PubChem (CID 151518596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).