2-methylpyrazine

C5H6N2 — CID 7976

IUPAC2-methylpyrazine
SMILESCc1cnccn1
InChIInChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3
InChIKeyCAWHJQAVHZEVTJ-UHFFFAOYSA-N
MW94.12 g/mol
LogP0.79
Rot. Bonds

About 2-methylpyrazine

2-methylpyrazine (PubChem CID 7976) has the molecular formula C5H6N2 and a molecular weight of 94.12 g/mol. Its IUPAC name is 2-methylpyrazine.

Molecular Properties

Compound Name2-methylpyrazine
PubChem CID7976
Molecular FormulaC5H6N2
Molecular Weight94.12 g/mol
Exact Mass94.05
IUPAC Name2-methylpyrazine
SMILESCc1cnccn1
InChIInChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3
InChIKeyCAWHJQAVHZEVTJ-UHFFFAOYSA-N
XLogP0.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.12
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Dimethylpyrazine
CID 31252
2,6-Dimethylpyrazine
CID 7938
Trimethylpyrazine
CID 26808
2,3-Dimethylpyrazine
CID 22201
2-Ethyl-5-methylpyrazine
CID 25915
2-Ethylpyrazine
CID 26331
2-Ethyl-6-methylpyrazine
CID 26332
5-Ethyl-2,3-dimethylpyrazine
CID 27460
2-Isopropyl-5-methylpyrazine
CID 61700
Propylpyrazine
CID 87466
Pyrazine, 2,5-diethyl-
CID 25797
Isopropylpyrazine
CID 34590

Frequently Asked Questions

What is the IUPAC name of 2-methylpyrazine?
The IUPAC name of 2-methylpyrazine (CID 7976) is 2-methylpyrazine.
What is the SMILES notation for 2-methylpyrazine?
The canonical SMILES for 2-methylpyrazine is Cc1cnccn1.
What is the InChIKey of 2-methylpyrazine?
The InChIKey is CAWHJQAVHZEVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3.
What are the key properties of 2-methylpyrazine?
2-methylpyrazine has a molecular weight of 94.12 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrazine is sourced from PubChem (CID 7976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).