1,3,6-trimethyl-2H-pyrazine

C7H12N2 — CID 89439351

IUPAC1,3,6-trimethyl-2H-pyrazine
SMILESCC1=CN=C(C)CN1C
InChIInChI=1S/C7H12N2/c1-6-5-9(3)7(2)4-8-6/h4H,5H2,1-3H3
InChIKeyYEKMRURSLOVWLP-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.25
Rot. Bonds

About 1,3,6-trimethyl-2H-pyrazine

1,3,6-trimethyl-2H-pyrazine (PubChem CID 89439351) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1,3,6-trimethyl-2H-pyrazine.

Molecular Properties

Compound Name1,3,6-trimethyl-2H-pyrazine
PubChem CID89439351
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1,3,6-trimethyl-2H-pyrazine
SMILESCC1=CN=C(C)CN1C
InChIInChI=1S/C7H12N2/c1-6-5-9(3)7(2)4-8-6/h4H,5H2,1-3H3
InChIKeyYEKMRURSLOVWLP-UHFFFAOYSA-N
XLogP1.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-2H-pyrazine?
The IUPAC name of 1,3,6-trimethyl-2H-pyrazine (CID 89439351) is 1,3,6-trimethyl-2H-pyrazine.
What is the SMILES notation for 1,3,6-trimethyl-2H-pyrazine?
The canonical SMILES for 1,3,6-trimethyl-2H-pyrazine is CC1=CN=C(C)CN1C.
What is the InChIKey of 1,3,6-trimethyl-2H-pyrazine?
The InChIKey is YEKMRURSLOVWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6-5-9(3)7(2)4-8-6/h4H,5H2,1-3H3.
What are the key properties of 1,3,6-trimethyl-2H-pyrazine?
1,3,6-trimethyl-2H-pyrazine has a molecular weight of 124.19 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-2H-pyrazine is sourced from PubChem (CID 89439351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).