Basic information
- CAS
88541-01-9- Standard SMILES
NC(N)=Nc1nc(-c2ccc(N)cc2)no1- InChIKey
VCMWXWBVRKPUDK-UHFFFAOYSA-N- Molecular formula
- C9H10N6O
- Average molar mass
- 218.22 g/mol
- Monoisotopic mass
- 218.09160896
Names & identifiers
- Preferred name
- N''-[3-(4-Aminophenyl)-1,2,4-oxadiazol-5-yl]guanidine
- IUPAC
- 2-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]guanidine
Names & synonyms
88541-01-91-(3-(4-Aminophenyl)-1,2,4-oxadiazol-5-yl)guanidineSCHEMBL10749346DTXSID90603680N''-[3-(4-Aminophenyl)-1,2,4-oxadiazol-5-yl]guanidine
Database identifiers
- CAS
88541-01-9- PubChem CID
- 20216366
- DTXSID
DTXSID90603680
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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