N-aminocarbamate;1H-imidazol-3-ium

C4H8N4O2 — CID 158208230

IUPACN-aminocarbamate;1H-imidazol-3-ium
SMILESNNC(=O)[O-].c1c[nH+]c[nH]1
InChIInChI=1S/C3H4N2.CH4N2O2/c1-2-5-3-4-1;2-3-1(4)5/h1-3H,(H,4,5);3H,2H2,(H,4,5)
InChIKeyGBTGOBAJCMRGDM-UHFFFAOYSA-N
MW144.13 g/mol
LogP-2.38
Rot. Bonds

About N-aminocarbamate;1H-imidazol-3-ium

N-aminocarbamate;1H-imidazol-3-ium (PubChem CID 158208230) has the molecular formula C4H8N4O2 and a molecular weight of 144.13 g/mol. Its IUPAC name is N-aminocarbamate;1H-imidazol-3-ium.

Molecular Properties

Compound NameN-aminocarbamate;1H-imidazol-3-ium
PubChem CID158208230
Molecular FormulaC4H8N4O2
Molecular Weight144.13 g/mol
Exact Mass144.06
IUPAC NameN-aminocarbamate;1H-imidazol-3-ium
SMILESNNC(=O)[O-].c1c[nH+]c[nH]1
InChIInChI=1S/C3H4N2.CH4N2O2/c1-2-5-3-4-1;2-3-1(4)5/h1-3H,(H,4,5);3H,2H2,(H,4,5)
InChIKeyGBTGOBAJCMRGDM-UHFFFAOYSA-N
XLogP-2.38
TPSA108.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-2.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-aminocarbamate;1H-imidazol-3-ium?
The IUPAC name of N-aminocarbamate;1H-imidazol-3-ium (CID 158208230) is N-aminocarbamate;1H-imidazol-3-ium.
What is the SMILES notation for N-aminocarbamate;1H-imidazol-3-ium?
The canonical SMILES for N-aminocarbamate;1H-imidazol-3-ium is NNC(=O)[O-].c1c[nH+]c[nH]1.
What is the InChIKey of N-aminocarbamate;1H-imidazol-3-ium?
The InChIKey is GBTGOBAJCMRGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.CH4N2O2/c1-2-5-3-4-1;2-3-1(4)5/h1-3H,(H,4,5);3H,2H2,(H,4,5).
What are the key properties of N-aminocarbamate;1H-imidazol-3-ium?
N-aminocarbamate;1H-imidazol-3-ium has a molecular weight of 144.13 g/mol, XLogP of -2.38, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-aminocarbamate;1H-imidazol-3-ium is sourced from PubChem (CID 158208230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).