1-(2-Piperidin-1-ylethyl)chromeno[3,4-d]triazol-4-one
Basic information
- CAS
5244-71-3- Standard SMILES
O=c1oc2ccccc2c2c1nnn2CCN1CCCCC1- InChIKey
XLHYQVMNGGETNK-UHFFFAOYSA-N- Molecular formula
- C16H18N4O2
- Average molar mass
- 298.34 g/mol
- Monoisotopic mass
- 298.14297583
Names & identifiers
- Preferred name
- 1-(2-Piperidin-1-ylethyl)chromeno[3,4-d]triazol-4-one
- IUPAC
- 1-(2-piperidin-1-ylethyl)chromeno[3,4-d]triazol-4-one
Names & synonyms
5244-71-31-[2-(1-piperidinyl)ethyl]chromeno[3,4-d][1,2,3]triazol-4(1H)-oneCBMicro_015112Oprea1_053936Oprea1_1470311-(2-piperidin-1-ylethyl)chromeno[3,4-d]triazol-4-oneDTXSID90966868AKOS0006394871-[2-(Piperidin-1-yl)ethyl][1]benzopyrano[3,4-d][1,2,3]triazol-4(1H)-oneST003954BIM-0015280.P0011-(2-piperidylethyl)chromeno[3,4-d]1,2,3-triazol-4-one
Database identifiers
- CAS
5244-71-3- PubChem CID
- 692891
- DTXSID
DTXSID90966868
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 413
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Compound notes
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