Basic information
- CAS
17591-59-2- Standard SMILES
Nn1c(Cc2ccccc2)nnc1Cc1ccccc1- InChIKey
LEWRWCNIOPKNIL-UHFFFAOYSA-N- Molecular formula
- C16H16N4
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.13749653
Names & identifiers
- Preferred name
- 4-Amino-3,5-dibenzyl-1,2,4-triazole
- IUPAC
- 3,5-dibenzyl-1,2,4-triazol-4-amine
- English name
- 4-Amino-3,5-dibenzyl-1,2,4-triazole
- Molecular formula
- C16H16N4
- Molecular weight
- 264.32504
Names & synonyms
17591-59-24-Amino-3,5-dibenzyl-1,2,4-triazole4H-1,2,4-Triazole, 4-amino-3,5-dibenzyl-OK8A3CCP06NSC-63161DTXSID50170045RefChem:1070244DTXCID00925363,5-Dibenzyl-4H-1,2,4-triazol-4-amine3,5-dibenzyl-1,2,4-triazol-4-amineNSC631614H-1,2,4-Triazol-4-amine, 3,5-bis(phenylmethyl)-
Show more names
4-Amino-3,5-dibenzyl-1,2,4-triazol
MLS002693426NSC 63161BRN 02428604H-1,2,4-Triazol-4-amine, 3,5-di(phenylmethyl)-UNII-OK8A3CCP06NCIOpen2_0028685-26-02-00478 (Beilstein Handbook Reference)SCHEMBL9522302
Database identifiers
- CAS
17591-59-2- PubChem CID
- 96265
- DTXSID
DTXSID50170045- ChEMBL
CHEMBL1899845- UNII
- OK8A3CCP06
- Nikkaji
- J92.294C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- FDA UNII
- 8 A3CCP06 · OK8A3CCP06
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers2 total
吉林中科研伸科技有限公司18143011203 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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