Basic information
- CAS
6625-77-0- Standard SMILES
Nc1n[nH]c(N)n1.O=C(O)C(=O)O- InChIKey
LPERBCAVOFGOFN-UHFFFAOYSA-N- Molecular formula
- C4H7N5O4
- Average molar mass
- 189.13 g/mol
- Monoisotopic mass
- 189.04980372
Names & identifiers
- Preferred name
- 1,2,4-Triazolidine-3,5-diimine oxalate
- IUPAC
- oxalic acid;1H-1,2,4-triazole-3,5-diamine
Names & synonyms
1,2,4-Triazolidine-3,5-diimine oxalate6625-77-0NSC58519NSC 58519DTXSID90216456NSC-58519oxalic acid; 1,2,4-triazolidine-3,5-diimineOxalic acid--1H-1,2,4-triazole-3,5-diamine (1/1)
Database identifiers
- CAS
6625-77-0- PubChem CID
- 499994
- DTXSID
DTXSID90216456
Properties
Computed structural properties
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 135
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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