2-butoxypyrazine

C8H12N2O — CID 19784221

IUPAC2-butoxypyrazine
SMILESCCCCOc1cnccn1
InChIInChI=1S/C8H12N2O/c1-2-3-6-11-8-7-9-4-5-10-8/h4-5,7H,2-3,6H2,1H3
InChIKeyWMQFMIIKANZHJG-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.66
Rot. Bonds4

About 2-butoxypyrazine

2-butoxypyrazine (PubChem CID 19784221) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-butoxypyrazine.

Molecular Properties

Compound Name2-butoxypyrazine
PubChem CID19784221
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-butoxypyrazine
SMILESCCCCOc1cnccn1
InChIInChI=1S/C8H12N2O/c1-2-3-6-11-8-7-9-4-5-10-8/h4-5,7H,2-3,6H2,1H3
InChIKeyWMQFMIIKANZHJG-UHFFFAOYSA-N
XLogP1.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.66
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

CID 18467
CID 18467
CID 13256887
CID 13256887
CID 21851859
CID 21851859
CID 44325630
CID 44325630
CID 44325872
CID 44325872
CID 2758778
CID 2758778
CID 44325590
CID 44325590
CID 44325827
CID 44325827
CID 71716104
CID 71716104
CID 23273445
CID 23273445
CID 268720
CID 268720
CID 16427103
CID 16427103

Frequently Asked Questions

What is the IUPAC name of 2-butoxypyrazine?
The IUPAC name of 2-butoxypyrazine (CID 19784221) is 2-butoxypyrazine.
What is the SMILES notation for 2-butoxypyrazine?
The canonical SMILES for 2-butoxypyrazine is CCCCOc1cnccn1.
What is the InChIKey of 2-butoxypyrazine?
The InChIKey is WMQFMIIKANZHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-3-6-11-8-7-9-4-5-10-8/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 2-butoxypyrazine?
2-butoxypyrazine has a molecular weight of 152.20 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxypyrazine is sourced from PubChem (CID 19784221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).