Basic information
- CAS
18162-00-0- Standard SMILES
NC(=O)NN=CCn1cc([N+](=O)[O-])c(=O)[nH]c1=O- InChIKey
JQVWNPMCWBAFKT-UHFFFAOYSA-N- Molecular formula
- C7H8N6O5
- Average molar mass
- 256.18 g/mol
- Monoisotopic mass
- 256.05561738
Names & identifiers
- Preferred name
- [2-(5-Nitro-2,4-dioxopyrimidin-1-yl)ethylideneamino]urea
- IUPAC
- [2-(5-nitro-2,4-dioxopyrimidin-1-yl)ethylideneamino]urea
Names & synonyms
18162-00-0NCIOpen2_006361DTXSID909394562-[2-(4-Hydroxy-5-nitro-2-oxopyrimidin-1(2H)-yl)ethylidene]hydrazine-1-carboximidic acid
Database identifiers
- CAS
18162-00-0- PubChem CID
- 259656
- DTXSID
DTXSID90939456
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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