Basic information
- CAS
351225-32-6- Standard SMILES
O=C(Nc1ccc(Cl)cc1)Nn1cnnc1- InChIKey
BLJMZHOTFSTIAH-UHFFFAOYSA-N- Molecular formula
- C9H8ClN5O
- Average molar mass
- 237.64 g/mol
- Monoisotopic mass
- 237.0417376
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-3-(1,2,4-triazol-4-yl)urea
- IUPAC
- 1-(4-chlorophenyl)-3-(1,2,4-triazol-4-yl)urea
Names & synonyms
1-(4-chlorophenyl)-3-(1,2,4-triazol-4-yl)urea351225-32-61-(4-chlorophenyl)-3-(4H-1,2,4-triazol-4-yl)ureaCBDivE_006453MLS0012101821-(4-Chloro-phenyl)-3-[1,2,4]triazol-4-yl-ureaCHEMBL1495185DTXSID801329845HMS2815E07STK025972AKOS000619714SMR000516266
Show more names
ST50247673SR-01000313974SR-01000313974-1N-(4-Chlorophenyl)-N'-4H-1,2,4-triazol-4-ylureaZ56259166[(4-chlorophenyl)amino]-N-(1,2,4-triazol-4-yl)carboxamide
Database identifiers
- CAS
351225-32-6- PubChem CID
- 816655
- DTXSID
DTXSID801329845- ChEMBL
CHEMBL1495185
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 238
Experimental & physicochemical properties
Solubility24.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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