1-nonyl-2H-pyrazine

C13H24N2 — CID 150526460

IUPAC1-nonyl-2H-pyrazine
SMILESCCCCCCCCCN1C=CN=CC1
InChIInChI=1S/C13H24N2/c1-2-3-4-5-6-7-8-11-15-12-9-14-10-13-15/h9-10,12H,2-8,11,13H2,1H3
InChIKeyICXLSQMGMSJROQ-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.59
Rot. Bonds8

About 1-nonyl-2H-pyrazine

1-nonyl-2H-pyrazine (PubChem CID 150526460) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-nonyl-2H-pyrazine.

Molecular Properties

Compound Name1-nonyl-2H-pyrazine
PubChem CID150526460
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-nonyl-2H-pyrazine
SMILESCCCCCCCCCN1C=CN=CC1
InChIInChI=1S/C13H24N2/c1-2-3-4-5-6-7-8-11-15-12-9-14-10-13-15/h9-10,12H,2-8,11,13H2,1H3
InChIKeyICXLSQMGMSJROQ-UHFFFAOYSA-N
XLogP3.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.59
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-nonyl-2H-pyrazine?
The IUPAC name of 1-nonyl-2H-pyrazine (CID 150526460) is 1-nonyl-2H-pyrazine.
What is the SMILES notation for 1-nonyl-2H-pyrazine?
The canonical SMILES for 1-nonyl-2H-pyrazine is CCCCCCCCCN1C=CN=CC1.
What is the InChIKey of 1-nonyl-2H-pyrazine?
The InChIKey is ICXLSQMGMSJROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-2-3-4-5-6-7-8-11-15-12-9-14-10-13-15/h9-10,12H,2-8,11,13H2,1H3.
What are the key properties of 1-nonyl-2H-pyrazine?
1-nonyl-2H-pyrazine has a molecular weight of 208.35 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonyl-2H-pyrazine is sourced from PubChem (CID 150526460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).