Basic information
- CAS
89488-98-2- Standard SMILES
CC(C)OC(=O)c1nc(N)n[nH]1- InChIKey
AJAVMVQLHPWYBA-UHFFFAOYSA-N- Molecular formula
- C6H10N4O2
- Average molar mass
- 170.17 g/mol
- Monoisotopic mass
- 170.08037557
Names & identifiers
- Preferred name
- isopropyl 3-amino-1H-1,2,4-triazole-5-carboxylate
- IUPAC
- propan-2-yl 3-amino-1H-1,2,4-triazole-5-carboxylate
Names & synonyms
isopropyl 3-amino-1H-1,2,4-triazole-5-carboxylate89488-98-21-Methylethyl 5-amino-1H-1,2,4-triazole-3-carboxylateOprea1_082824propan-2-yl 3-amino-1H-1,2,4-triazole-5-carboxylateDTXSID601212943AKOS001829386AS-871/40715667Propan-2-yl 5-amino-4H-1,2,4-triazole-3-carboxylate
Database identifiers
- CAS
89488-98-2- PubChem CID
- 730455
- DTXSID
DTXSID601212943
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 93.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 173
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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