acetic acid;1,2,4-trimethylimidazole

C8H14N2O2 — CID 174938383

IUPACacetic acid;1,2,4-trimethylimidazole
SMILESCC(=O)O.Cc1cn(C)c(C)n1
InChIInChI=1S/C6H10N2.C2H4O2/c1-5-4-8(3)6(2)7-5;1-2(3)4/h4H,1-3H3;1H3,(H,3,4)
InChIKeyZNSCTGWKVMCXJT-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.13
Rot. Bonds

About acetic acid;1,2,4-trimethylimidazole

acetic acid;1,2,4-trimethylimidazole (PubChem CID 174938383) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is acetic acid;1,2,4-trimethylimidazole.

Molecular Properties

Compound Nameacetic acid;1,2,4-trimethylimidazole
PubChem CID174938383
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Nameacetic acid;1,2,4-trimethylimidazole
SMILESCC(=O)O.Cc1cn(C)c(C)n1
InChIInChI=1S/C6H10N2.C2H4O2/c1-5-4-8(3)6(2)7-5;1-2(3)4/h4H,1-3H3;1H3,(H,3,4)
InChIKeyZNSCTGWKVMCXJT-UHFFFAOYSA-N
XLogP1.13
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1,2,4-trimethylimidazole?
The IUPAC name of acetic acid;1,2,4-trimethylimidazole (CID 174938383) is acetic acid;1,2,4-trimethylimidazole.
What is the SMILES notation for acetic acid;1,2,4-trimethylimidazole?
The canonical SMILES for acetic acid;1,2,4-trimethylimidazole is CC(=O)O.Cc1cn(C)c(C)n1.
What is the InChIKey of acetic acid;1,2,4-trimethylimidazole?
The InChIKey is ZNSCTGWKVMCXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C2H4O2/c1-5-4-8(3)6(2)7-5;1-2(3)4/h4H,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;1,2,4-trimethylimidazole?
acetic acid;1,2,4-trimethylimidazole has a molecular weight of 170.21 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1,2,4-trimethylimidazole is sourced from PubChem (CID 174938383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).