triamino(ethoxycarbonyl)azanium

C3H11N4O2+ — CID 91486917

IUPACtriamino(ethoxycarbonyl)azanium
SMILESCCOC(=O)[N+](N)(N)N
InChIInChI=1S/C3H11N4O2/c1-2-9-3(8)7(4,5)6/h2,4-6H2,1H3/q+1
InChIKeyPVLCLLCOLANBTD-UHFFFAOYSA-N
MW135.15 g/mol
LogP-1.42
Rot. Bonds1

About triamino(ethoxycarbonyl)azanium

triamino(ethoxycarbonyl)azanium (PubChem CID 91486917) has the molecular formula C3H11N4O2+ and a molecular weight of 135.15 g/mol. Its IUPAC name is triamino(ethoxycarbonyl)azanium.

Molecular Properties

Compound Nametriamino(ethoxycarbonyl)azanium
PubChem CID91486917
Molecular FormulaC3H11N4O2+
Molecular Weight135.15 g/mol
Exact Mass135.09
IUPAC Nametriamino(ethoxycarbonyl)azanium
SMILESCCOC(=O)[N+](N)(N)N
InChIInChI=1S/C3H11N4O2/c1-2-9-3(8)7(4,5)6/h2,4-6H2,1H3/q+1
InChIKeyPVLCLLCOLANBTD-UHFFFAOYSA-N
XLogP-1.42
TPSA104.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.15
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze triamino(ethoxycarbonyl)azanium with MolForge

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

Launch Full Analysis

Related Compounds

ethyl hydrogen carbonate;sulfane
CID 174718172
CID 157409555
CID 157409555
diethyl carbonate;ethane-1,2-diol
CID 19764063
ethanol;ethyl acetate
CID 173022006
ethyl carbamate
CID 21202847
ethyl carbamate
CID 158786750
CID 175796855
CID 175796855
ethyl carbamate
CID 161409576
CID 159370772
CID 159370772
ethanol;ethyl acetate;hydrate
CID 86601158
diethyl (2S,3S)-2,3-bis(hydroxymethyl)butanedioate
CID 134885080
ethanol;ethyl methyl carbonate
CID 161101393

Frequently Asked Questions

What is the IUPAC name of triamino(ethoxycarbonyl)azanium?
The IUPAC name of triamino(ethoxycarbonyl)azanium (CID 91486917) is triamino(ethoxycarbonyl)azanium.
What is the SMILES notation for triamino(ethoxycarbonyl)azanium?
The canonical SMILES for triamino(ethoxycarbonyl)azanium is CCOC(=O)[N+](N)(N)N.
What is the InChIKey of triamino(ethoxycarbonyl)azanium?
The InChIKey is PVLCLLCOLANBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11N4O2/c1-2-9-3(8)7(4,5)6/h2,4-6H2,1H3/q+1.
What are the key properties of triamino(ethoxycarbonyl)azanium?
triamino(ethoxycarbonyl)azanium has a molecular weight of 135.15 g/mol, XLogP of -1.42, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triamino(ethoxycarbonyl)azanium is sourced from PubChem (CID 91486917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).