3-(Beta-aminoethyl)-5-amino-1,2,4-triazole
Basic information
- CAS
56436-29-4- Standard SMILES
NCCc1nc(N)n[nH]1- InChIKey
GNNXUWBCKBBJHF-UHFFFAOYSA-N- Molecular formula
- C4H9N5
- Average molar mass
- 127.15 g/mol
- Monoisotopic mass
- 127.08579531
Names & identifiers
- Preferred name
- 3-(Beta-aminoethyl)-5-amino-1,2,4-triazole
- IUPAC
- 5-(2-aminoethyl)-1H-1,2,4-triazol-3-amine
- English name
- 5-(2-Aminoethyl)-1H-1,2,4-triazol-3-amine
- Molecular formula
- C4H9N5
- Molecular weight
- 127.15
Names & synonyms
56436-29-4Iem 7595-Amino-1H-1,2,4-triazole-3-ethanamineDTXSID70204992IEM-7593-(Beta-aminoethyl)-5-amino-1,2,4-triazoleRefChem:92553DTXCID001274835-(2-aminoethyl)-1H-1,2,4-triazol-3-amine3-(2-aminoethyl)-1H-1,2,4-triazol-5-amine3-Amino-5-(2-aminoethyl)-1H-1,2,4-triazole5-(2-aminoethyl)-4H-1,2,4-triazol-3-amine
Show more names
1H-1,2,4-Triazole-3-ethanamine, 5-amino-5-(2-Amino-ethyl)-1H-[1,2,4]triazol-3-ylamine2-(5-amino-2H-1,2,4-triazol-4-ium-3-yl)ethylazanium dichloride2-(5-amino-2H-1,2,4-triazol-4-ium-3-yl)ethylammonium dichloride
5-(2-Aminoethyl)-1H-1,2,4-triazol-3-amine dihydrochloride1H-1,2,4-triazole-5-ethanamine, 3-amino-, dihydrochloride3-(2-aminoethyl)-1H-1,2,4-triazole-5-ylamineBRN 0118948Oprea1_2355721H-1,2,4-Triazole, 3-amino-5-(2-aminoethyl)-4-26-00-01175 (Beilstein Handbook Reference)SCHEMBL758183
Database identifiers
- CAS
56436-29-4- PubChem CID
- 198348
- DTXSID
DTXSID70204992- Nikkaji
- J92.292G
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 93.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Physicochemical properties
- Boiling point
- 403 · 403.0±47.0 °C(Predicted)
- Density
- 1.367 · 1.367±0.06 g/cm3(Predicted)
- pka
- 11.43 · 11.43±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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