2-(4-butoxyphenyl)pyrazine

C14H16N2O — CID 11345209

IUPAC2-(4-butoxyphenyl)pyrazine
SMILESCCCCOc1ccc(-c2cnccn2)cc1
InChIInChI=1S/C14H16N2O/c1-2-3-10-17-13-6-4-12(5-7-13)14-11-15-8-9-16-14/h4-9,11H,2-3,10H2,1H3
InChIKeyCWDVFUCLYPBQNG-UHFFFAOYSA-N
MW228.30 g/mol
LogP3.32
Rot. Bonds5

About 2-(4-butoxyphenyl)pyrazine

2-(4-butoxyphenyl)pyrazine (PubChem CID 11345209) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)pyrazine.

Molecular Properties

Compound Name2-(4-butoxyphenyl)pyrazine
PubChem CID11345209
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name2-(4-butoxyphenyl)pyrazine
SMILESCCCCOc1ccc(-c2cnccn2)cc1
InChIInChI=1S/C14H16N2O/c1-2-3-10-17-13-6-4-12(5-7-13)14-11-15-8-9-16-14/h4-9,11H,2-3,10H2,1H3
InChIKeyCWDVFUCLYPBQNG-UHFFFAOYSA-N
XLogP3.32
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-bis(4-hexoxyphenyl)pyrazine
CID 86183417
3-(4-octoxyphenyl)pyridine
CID 90176946
2-heptoxy-5-(4-heptoxyphenyl)pyrazine
CID 19103384
4-(4-butoxyphenyl)-2,6-dipyridin-4-ylpyridine
CID 139195352
3,6-bis(4-decoxyphenyl)pyridazine
CID 101171713
5-heptoxy-2-(4-octoxyphenyl)pyrimidine
CID 14794369
2-(4-butoxyphenyl)-1,3-oxazole
CID 69161830
5-methyl-2-(4-pentoxyphenyl)pyridine
CID 96893655
4-(4-dodecoxyphenyl)-2H-triazole
CID 102307432
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
5-octoxy-2-[4-[7-[4-[5-[7-[4-(4-octoxyphenyl)phenoxy]heptoxy]pyrimidin-2-yl]phenoxy]heptoxy]phenyl]pyrimidine
CID 132525748

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)pyrazine?
The IUPAC name of 2-(4-butoxyphenyl)pyrazine (CID 11345209) is 2-(4-butoxyphenyl)pyrazine.
What is the SMILES notation for 2-(4-butoxyphenyl)pyrazine?
The canonical SMILES for 2-(4-butoxyphenyl)pyrazine is CCCCOc1ccc(-c2cnccn2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)pyrazine?
The InChIKey is CWDVFUCLYPBQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-3-10-17-13-6-4-12(5-7-13)14-11-15-8-9-16-14/h4-9,11H,2-3,10H2,1H3.
What are the key properties of 2-(4-butoxyphenyl)pyrazine?
2-(4-butoxyphenyl)pyrazine has a molecular weight of 228.30 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)pyrazine is sourced from PubChem (CID 11345209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).