Basic information
- Standard SMILES
C=CCn1c(-c2cccnc2)nn(CCCCN2CCN(c3ccccc3OC)CC2)c1=O- InChIKey
WOPAMCHTTSHNFO-UHFFFAOYSA-N- Molecular formula
- C25H32N6O2
- Average molar mass
- 448.6 g/mol
Names & identifiers
- Preferred name
- 4-allyl-2-{4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl}-5-(3-pyridyl)-1,2,4-triazol-3(2H,4H)-one
- IUPAC
- 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-one
Names & synonyms
SCHEMBL7838517WOPAMCHTTSHNFO-UHFFFAOYSA-N4-allyl-2-{4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl}-5-(3-pyridyl)-1,2,4-triazol-3(2H,4H)-one
Database identifiers
- PubChem CID
- 23299986
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 678
Related reactions
2 records
Compound notes
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