3-methyl-1H-pyrazine

C5H6N2 — CID 176521364

IUPAC3-methyl-1H-pyrazine
SMILESCC1=CNC=C=N1
InChIInChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2,4,6H,1H3
InChIKeyJWLCCCXKYREWAP-UHFFFAOYSA-N
MW94.12 g/mol
LogP0.63
Rot. Bonds

About 3-methyl-1H-pyrazine

3-methyl-1H-pyrazine (PubChem CID 176521364) has the molecular formula C5H6N2 and a molecular weight of 94.12 g/mol. Its IUPAC name is 3-methyl-1H-pyrazine.

Molecular Properties

Compound Name3-methyl-1H-pyrazine
PubChem CID176521364
Molecular FormulaC5H6N2
Molecular Weight94.12 g/mol
Exact Mass94.05
IUPAC Name3-methyl-1H-pyrazine
SMILESCC1=CNC=C=N1
InChIInChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2,4,6H,1H3
InChIKeyJWLCCCXKYREWAP-UHFFFAOYSA-N
XLogP0.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.12
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-pyrazine?
The IUPAC name of 3-methyl-1H-pyrazine (CID 176521364) is 3-methyl-1H-pyrazine.
What is the SMILES notation for 3-methyl-1H-pyrazine?
The canonical SMILES for 3-methyl-1H-pyrazine is CC1=CNC=C=N1.
What is the InChIKey of 3-methyl-1H-pyrazine?
The InChIKey is JWLCCCXKYREWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2,4,6H,1H3.
What are the key properties of 3-methyl-1H-pyrazine?
3-methyl-1H-pyrazine has a molecular weight of 94.12 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-pyrazine is sourced from PubChem (CID 176521364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).