1,2,4-Triazin-5(4H)-one, 4-amino-6-(cyclopentyloxy)-3-(methylthio)-
Basic information
- CAS
84222-90-2- Standard SMILES
CSc1nnc(OC2CCCC2)c(=O)n1N- InChIKey
LNVUUPCOBZNPGR-UHFFFAOYSA-N- Molecular formula
- C9H14N4O2S
- Average molar mass
- 242.3 g/mol
- Monoisotopic mass
- 242.08374688
Names & identifiers
- Preferred name
- 1,2,4-Triazin-5(4H)-one, 4-amino-6-(cyclopentyloxy)-3-(methylthio)-
- IUPAC
- 4-amino-6-cyclopentyloxy-3-methylsulfanyl-1,2,4-triazin-5-one
Names & synonyms
84222-90-21,2,4-Triazin-5(4H)-one, 4-amino-6-(cyclopentyloxy)-3-(methylthio)-DTXSID6010044834-Amino-6-(cyclopentyloxy)-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
Database identifiers
- CAS
84222-90-2- PubChem CID
- 187409
- DTXSID
DTXSID601004483
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 349
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Compound notes
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