hydrogen carbonate;triethylazanium

C7H17NO3 — CID 11768884

IUPAChydrogen carbonate;triethylazanium
SMILESCC[NH+](CC)CC.O=C([O-])O
InChIInChI=1S/C6H15N.CH2O3/c1-4-7(5-2)6-3;2-1(3)4/h4-6H2,1-3H3;(H2,2,3,4)
InChIKeyAFQIYTIJXGTIEY-UHFFFAOYSA-N
MW163.22 g/mol
LogP-1.18
Rot. Bonds3

About hydrogen carbonate;triethylazanium

hydrogen carbonate;triethylazanium (PubChem CID 11768884) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is hydrogen carbonate;triethylazanium.

Molecular Properties

Compound Namehydrogen carbonate;triethylazanium
PubChem CID11768884
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Namehydrogen carbonate;triethylazanium
SMILESCC[NH+](CC)CC.O=C([O-])O
InChIInChI=1S/C6H15N.CH2O3/c1-4-7(5-2)6-3;2-1(3)4/h4-6H2,1-3H3;(H2,2,3,4)
InChIKeyAFQIYTIJXGTIEY-UHFFFAOYSA-N
XLogP-1.18
TPSA64.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze hydrogen carbonate;triethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hydrogen carbonate;triethylazanium?
The IUPAC name of hydrogen carbonate;triethylazanium (CID 11768884) is hydrogen carbonate;triethylazanium.
What is the SMILES notation for hydrogen carbonate;triethylazanium?
The canonical SMILES for hydrogen carbonate;triethylazanium is CC[NH+](CC)CC.O=C([O-])O.
What is the InChIKey of hydrogen carbonate;triethylazanium?
The InChIKey is AFQIYTIJXGTIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.CH2O3/c1-4-7(5-2)6-3;2-1(3)4/h4-6H2,1-3H3;(H2,2,3,4).
What are the key properties of hydrogen carbonate;triethylazanium?
hydrogen carbonate;triethylazanium has a molecular weight of 163.22 g/mol, XLogP of -1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen carbonate;triethylazanium is sourced from PubChem (CID 11768884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).