hydrogen carbonate;1H-imidazol-3-ium

C4H6N2O3 — CID 68737635

IUPAChydrogen carbonate;1H-imidazol-3-ium
SMILESO=C([O-])O.c1c[nH+]c[nH]1
InChIInChI=1S/C3H4N2.CH2O3/c1-2-5-3-4-1;2-1(3)4/h1-3H,(H,4,5);(H2,2,3,4)
InChIKeyGYTMUNSNMBRSEW-UHFFFAOYSA-N
MW130.10 g/mol
LogP-1.28
Rot. Bonds

About hydrogen carbonate;1H-imidazol-3-ium

hydrogen carbonate;1H-imidazol-3-ium (PubChem CID 68737635) has the molecular formula C4H6N2O3 and a molecular weight of 130.10 g/mol. Its IUPAC name is hydrogen carbonate;1H-imidazol-3-ium.

Molecular Properties

Compound Namehydrogen carbonate;1H-imidazol-3-ium
PubChem CID68737635
Molecular FormulaC4H6N2O3
Molecular Weight130.10 g/mol
Exact Mass130.04
IUPAC Namehydrogen carbonate;1H-imidazol-3-ium
SMILESO=C([O-])O.c1c[nH+]c[nH]1
InChIInChI=1S/C3H4N2.CH2O3/c1-2-5-3-4-1;2-1(3)4/h1-3H,(H,4,5);(H2,2,3,4)
InChIKeyGYTMUNSNMBRSEW-UHFFFAOYSA-N
XLogP-1.28
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze hydrogen carbonate;1H-imidazol-3-ium 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;1H-imidazol-3-ium?
The IUPAC name of hydrogen carbonate;1H-imidazol-3-ium (CID 68737635) is hydrogen carbonate;1H-imidazol-3-ium.
What is the SMILES notation for hydrogen carbonate;1H-imidazol-3-ium?
The canonical SMILES for hydrogen carbonate;1H-imidazol-3-ium is O=C([O-])O.c1c[nH+]c[nH]1.
What is the InChIKey of hydrogen carbonate;1H-imidazol-3-ium?
The InChIKey is GYTMUNSNMBRSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.CH2O3/c1-2-5-3-4-1;2-1(3)4/h1-3H,(H,4,5);(H2,2,3,4).
What are the key properties of hydrogen carbonate;1H-imidazol-3-ium?
hydrogen carbonate;1H-imidazol-3-ium has a molecular weight of 130.10 g/mol, XLogP of -1.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen carbonate;1H-imidazol-3-ium is sourced from PubChem (CID 68737635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).