2,3,5,6-tetramethylpyrazine;trihydrate

C8H18N2O3 — CID 66732985

IUPAC2,3,5,6-tetramethylpyrazine;trihydrate
SMILESCc1nc(C)c(C)nc1C.O.O.O
InChIInChI=1S/C8H12N2.3H2O/c1-5-6(2)10-8(4)7(3)9-5;;;/h1-4H3;3*1H2
InChIKeyMAAZDFZETNADTQ-UHFFFAOYSA-N
MW190.24 g/mol
LogP-0.76
Rot. Bonds

About 2,3,5,6-tetramethylpyrazine;trihydrate

2,3,5,6-tetramethylpyrazine;trihydrate (PubChem CID 66732985) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2,3,5,6-tetramethylpyrazine;trihydrate.

Molecular Properties

Compound Name2,3,5,6-tetramethylpyrazine;trihydrate
PubChem CID66732985
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name2,3,5,6-tetramethylpyrazine;trihydrate
SMILESCc1nc(C)c(C)nc1C.O.O.O
InChIInChI=1S/C8H12N2.3H2O/c1-5-6(2)10-8(4)7(3)9-5;;;/h1-4H3;3*1H2
InChIKeyMAAZDFZETNADTQ-UHFFFAOYSA-N
XLogP-0.76
TPSA120.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethylpyrazine;trihydrate?
The IUPAC name of 2,3,5,6-tetramethylpyrazine;trihydrate (CID 66732985) is 2,3,5,6-tetramethylpyrazine;trihydrate.
What is the SMILES notation for 2,3,5,6-tetramethylpyrazine;trihydrate?
The canonical SMILES for 2,3,5,6-tetramethylpyrazine;trihydrate is Cc1nc(C)c(C)nc1C.O.O.O.
What is the InChIKey of 2,3,5,6-tetramethylpyrazine;trihydrate?
The InChIKey is MAAZDFZETNADTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.3H2O/c1-5-6(2)10-8(4)7(3)9-5;;;/h1-4H3;3*1H2.
What are the key properties of 2,3,5,6-tetramethylpyrazine;trihydrate?
2,3,5,6-tetramethylpyrazine;trihydrate has a molecular weight of 190.24 g/mol, XLogP of -0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethylpyrazine;trihydrate is sourced from PubChem (CID 66732985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).