2-methylpyrazine;pyrazine

C37H38N18 — CID 66589511

IUPAC2-methylpyrazine;pyrazine
SMILESCc1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1
InChIInChI=1S/C5H6N2.8C4H4N2/c1-5-4-6-2-3-7-5;8*1-2-6-4-3-5-1/h2-4H,1H3;8*1-4H
InChIKeyUMXDLAVXIVKSRY-UHFFFAOYSA-N
MW734.84 g/mol
LogP4.60
Rot. Bonds

About 2-methylpyrazine;pyrazine

2-methylpyrazine;pyrazine (PubChem CID 66589511) has the molecular formula C37H38N18 and a molecular weight of 734.84 g/mol. Its IUPAC name is 2-methylpyrazine;pyrazine.

Molecular Properties

Compound Name2-methylpyrazine;pyrazine
PubChem CID66589511
Molecular FormulaC37H38N18
Molecular Weight734.84 g/mol
Exact Mass734.35
IUPAC Name2-methylpyrazine;pyrazine
SMILESCc1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1
InChIInChI=1S/C5H6N2.8C4H4N2/c1-5-4-6-2-3-7-5;8*1-2-6-4-3-5-1/h2-4H,1H3;8*1-4H
InChIKeyUMXDLAVXIVKSRY-UHFFFAOYSA-N
XLogP4.60
TPSA232.02 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.84
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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Frequently Asked Questions

What is the IUPAC name of 2-methylpyrazine;pyrazine?
The IUPAC name of 2-methylpyrazine;pyrazine (CID 66589511) is 2-methylpyrazine;pyrazine.
What is the SMILES notation for 2-methylpyrazine;pyrazine?
The canonical SMILES for 2-methylpyrazine;pyrazine is Cc1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1.
What is the InChIKey of 2-methylpyrazine;pyrazine?
The InChIKey is UMXDLAVXIVKSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.8C4H4N2/c1-5-4-6-2-3-7-5;8*1-2-6-4-3-5-1/h2-4H,1H3;8*1-4H.
What are the key properties of 2-methylpyrazine;pyrazine?
2-methylpyrazine;pyrazine has a molecular weight of 734.84 g/mol, XLogP of 4.60, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrazine;pyrazine is sourced from PubChem (CID 66589511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).