Basic information
- CAS
65735-13-9- Standard SMILES
Cc1c(C#N)nnn1Cc1ccccc1- InChIKey
JYGFFCUXTSZWDJ-UHFFFAOYSA-N- Molecular formula
- C11H10N4
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.09054634
Names & identifiers
- Preferred name
- 5-Methyl-1-(phenylmethyl)-1H-1,2,3-triazole-4-carbonitrile
- IUPAC
- 1-benzyl-5-methyltriazole-4-carbonitrile
Names & synonyms
5-Methyl-1-(phenylmethyl)-1H-1,2,3-triazole-4-carbonitrile65735-13-9RefChem:303940SCHEMBL11948732DTXSID7011913921-Benzyl-5-methyl-1H-1,2,3-triazole-4-carbonitrile
Database identifiers
- CAS
65735-13-9- PubChem CID
- 59554646
- DTXSID
DTXSID701191392
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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