pyrazin-2-ylmethyl acetate

C7H8N2O2 — CID 12933345

IUPACpyrazin-2-ylmethyl acetate
SMILESCC(=O)OCc1cnccn1
InChIInChI=1S/C7H8N2O2/c1-6(10)11-5-7-4-8-2-3-9-7/h2-4H,5H2,1H3
InChIKeyKRXOROXNMQYVCJ-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.54
Rot. Bonds2

About pyrazin-2-ylmethyl acetate

pyrazin-2-ylmethyl acetate (PubChem CID 12933345) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is pyrazin-2-ylmethyl acetate.

Molecular Properties

Compound Namepyrazin-2-ylmethyl acetate
PubChem CID12933345
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Namepyrazin-2-ylmethyl acetate
SMILESCC(=O)OCc1cnccn1
InChIInChI=1S/C7H8N2O2/c1-6(10)11-5-7-4-8-2-3-9-7/h2-4H,5H2,1H3
InChIKeyKRXOROXNMQYVCJ-UHFFFAOYSA-N
XLogP0.54
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-ylmethyl acetate?
The IUPAC name of pyrazin-2-ylmethyl acetate (CID 12933345) is pyrazin-2-ylmethyl acetate.
What is the SMILES notation for pyrazin-2-ylmethyl acetate?
The canonical SMILES for pyrazin-2-ylmethyl acetate is CC(=O)OCc1cnccn1.
What is the InChIKey of pyrazin-2-ylmethyl acetate?
The InChIKey is KRXOROXNMQYVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-6(10)11-5-7-4-8-2-3-9-7/h2-4H,5H2,1H3.
What are the key properties of pyrazin-2-ylmethyl acetate?
pyrazin-2-ylmethyl acetate has a molecular weight of 152.15 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-ylmethyl acetate is sourced from PubChem (CID 12933345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).