1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide
Basic information
- CAS
5297-29-0- Standard SMILES
CC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C)c1ccc(CC(C)C)cc1- InChIKey
UOSOUUOTYFPCMN-UHFFFAOYSA-N- Molecular formula
- C21H25N11O2S
- Average molar mass
- 495.6 g/mol
- Monoisotopic mass
- 495.19134026
Names & identifiers
- Preferred name
- 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide
- IUPAC
- 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide
Names & synonyms
5297-29-01-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamideDTXSID604114161-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-{1-[4-(2-methylpropyl)phenyl]ethylidene}-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Database identifiers
- CAS
5297-29-0- PubChem CID
- 5225752
- DTXSID
DTXSID60411416
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 736
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Compound notes
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