Basic information
- CAS
957484-41-2- Standard SMILES
CC(C)Sc1nnc(-c2cnn(-c3ccccc3)c2N)n1Cc1ccccc1- InChIKey
SEUAIKZWRUJYBK-UHFFFAOYSA-N- Molecular formula
- C21H22N6S
- Average molar mass
- 390.5 g/mol
- Monoisotopic mass
- 390.1626659
Names & identifiers
- Preferred name
- 4-(4-Benzyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)-2-phenylpyrazol-3-amine
- IUPAC
- 4-(4-benzyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)-1-phenylpyrazol-5-amine
- English name
- 4-[4-benzyl-5-(isopropylthio)-4H-1,2,4-triazol-3-yl]-1-phenyl-1H-pyrazol-5-amine
- Molecular formula
- C21H22N6S
- Molecular weight
- 390.50458
Names & synonyms
4-[4-benzyl-5-(isopropylthio)-4H-1,2,4-triazol-3-yl]-1-phenyl-1H-pyrazol-5-amineOprea1_0944824-(4-benzyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)-2-phenylpyrazol-3-amineAO-476/40672218
Database identifiers
- CAS
957484-41-2- PubChem CID
- 7023173
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 480
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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