Basic information
- CAS
5097-54-1- Standard SMILES
CC(C)NC(=O)Nc1nc(Cl)nc(Cl)n1- InChIKey
ADSCVYJDYLKULH-UHFFFAOYSA-N- Molecular formula
- C7H9Cl2N5O
- Average molar mass
- 250.08 g/mol
- Monoisotopic mass
- 249.0184153
Names & identifiers
- Preferred name
- 1-(4,6-Dichloro-1,3,5-triazin-2-yl)-3-propan-2-ylurea
- IUPAC
- 1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-propan-2-ylurea
Names & synonyms
1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-propan-2-ylurea5097-54-1DTXSID10274694N-(4,6-Dichloro-1,3,5-triazin-2-yl)-N'-(propan-2-yl)urea
Database identifiers
- CAS
5097-54-1- PubChem CID
- 21174
- DTXSID
DTXSID10274694- Nikkaji
- J1.554.495C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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