acetic acid;2,3,5-trimethylpyrazine

C9H14N2O2 — CID 159251290

IUPACacetic acid;2,3,5-trimethylpyrazine
SMILESCC(=O)O.Cc1cnc(C)c(C)n1
InChIInChI=1S/C7H10N2.C2H4O2/c1-5-4-8-6(2)7(3)9-5;1-2(3)4/h4H,1-3H3;1H3,(H,3,4)
InChIKeyKVIFWNRQBQJJRV-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.49
Rot. Bonds

About acetic acid;2,3,5-trimethylpyrazine

acetic acid;2,3,5-trimethylpyrazine (PubChem CID 159251290) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is acetic acid;2,3,5-trimethylpyrazine.

Molecular Properties

Compound Nameacetic acid;2,3,5-trimethylpyrazine
PubChem CID159251290
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Nameacetic acid;2,3,5-trimethylpyrazine
SMILESCC(=O)O.Cc1cnc(C)c(C)n1
InChIInChI=1S/C7H10N2.C2H4O2/c1-5-4-8-6(2)7(3)9-5;1-2(3)4/h4H,1-3H3;1H3,(H,3,4)
InChIKeyKVIFWNRQBQJJRV-UHFFFAOYSA-N
XLogP1.49
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2,3,5-trimethylpyrazine?
The IUPAC name of acetic acid;2,3,5-trimethylpyrazine (CID 159251290) is acetic acid;2,3,5-trimethylpyrazine.
What is the SMILES notation for acetic acid;2,3,5-trimethylpyrazine?
The canonical SMILES for acetic acid;2,3,5-trimethylpyrazine is CC(=O)O.Cc1cnc(C)c(C)n1.
What is the InChIKey of acetic acid;2,3,5-trimethylpyrazine?
The InChIKey is KVIFWNRQBQJJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C2H4O2/c1-5-4-8-6(2)7(3)9-5;1-2(3)4/h4H,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;2,3,5-trimethylpyrazine?
acetic acid;2,3,5-trimethylpyrazine has a molecular weight of 182.22 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2,3,5-trimethylpyrazine is sourced from PubChem (CID 159251290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).