buta-1,3-diene;2-methoxypyrazine

C9H12N2O — CID 87173370

IUPACbuta-1,3-diene;2-methoxypyrazine
SMILESC=CC=C.COc1cnccn1
InChIInChI=1S/C5H6N2O.C4H6/c1-8-5-4-6-2-3-7-5;1-3-4-2/h2-4H,1H3;3-4H,1-2H2
InChIKeyLPZLMCKRYHKFHJ-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.84
Rot. Bonds2

About buta-1,3-diene;2-methoxypyrazine

buta-1,3-diene;2-methoxypyrazine (PubChem CID 87173370) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is buta-1,3-diene;2-methoxypyrazine.

Molecular Properties

Compound Namebuta-1,3-diene;2-methoxypyrazine
PubChem CID87173370
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Namebuta-1,3-diene;2-methoxypyrazine
SMILESC=CC=C.COc1cnccn1
InChIInChI=1S/C5H6N2O.C4H6/c1-8-5-4-6-2-3-7-5;1-3-4-2/h2-4H,1H3;3-4H,1-2H2
InChIKeyLPZLMCKRYHKFHJ-UHFFFAOYSA-N
XLogP1.84
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxypyrazine
CID 18467
2-Methoxy-(3 or 5 or 6)-isopropylpyrazine
CID 13256887
2-Ethoxypyrazine
CID 2758778
2-Iodo-3-methoxypyrazine
CID 10977417
2-Butoxypyrazine
CID 19784221
2-Fluoro-6-methoxypyrazine
CID 11320944
2-Iodo-6-methoxypyrazine
CID 10263495
2-Methoxy-6-(tributylstannyl)pyrazine
CID 16427103
2-Methoxy-3-(tributylstannyl)pyrazine
CID 16427136
2-Methoxy-5-(tributylstannyl)pyrazine
CID 85880076
2-[(3-Methylbut-2-en-1-yl)oxy]pyrazine
CID 139023266
2,6-Dimethoxypyrazine
CID 3264170

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;2-methoxypyrazine?
The IUPAC name of buta-1,3-diene;2-methoxypyrazine (CID 87173370) is buta-1,3-diene;2-methoxypyrazine.
What is the SMILES notation for buta-1,3-diene;2-methoxypyrazine?
The canonical SMILES for buta-1,3-diene;2-methoxypyrazine is C=CC=C.COc1cnccn1.
What is the InChIKey of buta-1,3-diene;2-methoxypyrazine?
The InChIKey is LPZLMCKRYHKFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.C4H6/c1-8-5-4-6-2-3-7-5;1-3-4-2/h2-4H,1H3;3-4H,1-2H2.
What are the key properties of buta-1,3-diene;2-methoxypyrazine?
buta-1,3-diene;2-methoxypyrazine has a molecular weight of 164.21 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;2-methoxypyrazine is sourced from PubChem (CID 87173370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).