2-methoxy-3-pentylpyrazine

C10H16N2O — CID 528321

IUPAC2-methoxy-3-pentylpyrazine
SMILESCCCCCc1nccnc1OC
InChIInChI=1S/C10H16N2O/c1-3-4-5-6-9-10(13-2)12-8-7-11-9/h7-8H,3-6H2,1-2H3
InChIKeyDQYUVDQNNZJHFW-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.22
Rot. Bonds5

About 2-methoxy-3-pentylpyrazine

2-methoxy-3-pentylpyrazine (PubChem CID 528321) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-methoxy-3-pentylpyrazine.

Molecular Properties

Compound Name2-methoxy-3-pentylpyrazine
PubChem CID528321
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-methoxy-3-pentylpyrazine
SMILESCCCCCc1nccnc1OC
InChIInChI=1S/C10H16N2O/c1-3-4-5-6-9-10(13-2)12-8-7-11-9/h7-8H,3-6H2,1-2H3
InChIKeyDQYUVDQNNZJHFW-UHFFFAOYSA-N
XLogP2.22
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.22
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-pentylpyrazine?
The IUPAC name of 2-methoxy-3-pentylpyrazine (CID 528321) is 2-methoxy-3-pentylpyrazine.
What is the SMILES notation for 2-methoxy-3-pentylpyrazine?
The canonical SMILES for 2-methoxy-3-pentylpyrazine is CCCCCc1nccnc1OC.
What is the InChIKey of 2-methoxy-3-pentylpyrazine?
The InChIKey is DQYUVDQNNZJHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-4-5-6-9-10(13-2)12-8-7-11-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-methoxy-3-pentylpyrazine?
2-methoxy-3-pentylpyrazine has a molecular weight of 180.25 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-pentylpyrazine is sourced from PubChem (CID 528321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).