Basic information
- CAS
35224-76-1- Standard SMILES
O=C(Nc1ccccc1)Nn1cnnc1- InChIKey
DXOVRICRSZZUJR-UHFFFAOYSA-N- Molecular formula
- C9H9N5O
- Average molar mass
- 203.2 g/mol
- Monoisotopic mass
- 203.08070993
Names & identifiers
- Preferred name
- 1-phenyl-3-(4H-1,2,4-triazol-4-yl)urea
- IUPAC
- 1-phenyl-3-(1,2,4-triazol-4-yl)urea
Names & synonyms
1-phenyl-3-(4H-1,2,4-triazol-4-yl)urea35224-76-1N-phenyl-N'-(4H-1,2,4-triazol-4-yl)urea1-phenyl-3-(1,2,4-triazol-4-yl)ureaMFCD00219507N-Phenyl-N'-4H-1,2,4-triazol-4-ylureaOprea1_040693Oprea1_810734CBDivE_000314MLS001181946CHEMBL1331067SCHEMBL10737831
Show more names
DTXSID701330089HMS1607I19HMS2853J13CCG-52640STK060715AKOS000619715SMR000567709WL-103296
Database identifiers
- CAS
35224-76-1- PubChem CID
- 736779
- DTXSID
DTXSID701330089- ChEMBL
CHEMBL1331067- Nikkaji
- J633.957C
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Experimental & physicochemical properties
Solubility25.2 [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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