6'-Amino-3'-ethyl-4,5-dihydro-2-methylspiro[furan-3(2H),4'(2'H)-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Basic information
- CAS
626221-27-0- Standard SMILES
CCc1[nH]nc2c1C1(CCOC1C)C(C#N)=C(N)O2- InChIKey
CIUPEIIWGDUNAE-UHFFFAOYSA-N- Molecular formula
- C13H16N4O2
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.12732577
Names & identifiers
- Preferred name
- 6'-Amino-3'-ethyl-4,5-dihydro-2-methylspiro[furan-3(2H),4'(2'H)-pyrano[2,3-c]pyrazole]-5'-carbonitrile
- IUPAC
- 6-amino-3-ethyl-2'-methylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-oxolane]-5-carbonitrile
Names & synonyms
626221-27-06'-Amino-3'-ethyl-4,5-dihydro-2-methylspiro[furan-3(2H),4'(2'H)-pyrano[2,3-c]pyrazole]-5'-carbonitrile6'-Amino-3'-ethyl-4,5-dihydro-2-methylspiro(furan-3(2H),4'(2'H)-pyrano(2,3-c)pyrazole)-5'-carbonitrileRefChem:3059046'-amino-3'-ethyl-2-methyl-4,5-dihydro-2'H-spiro[furan-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrileSMR000014040MLS000033489CHEMBL1507559DTXSID001112496HMS2366E22STL041215AKOS003682646
Show more names
6-amino-3-ethyl-2'-methylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-oxolane]-5-carbonitrileST0716026-amino-3-ethyl-11-methylspiro[4H-pyrano[2,3-c]pyrazole-4,3'-oxolane]-5-carbon itrile6'-AMINO-3'-ETHYL-2-METHYL-2'H-SPIRO[OXOLANE-3,4'-PYRANO[2,3-C]PYRAZOLE]-5'-CARBONITRILE6'-amino-3'-ethyl-2-methyl-4,5-dihydro-2H,2'H-spiro[furan-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile6a(2)-Amino-3a(2)-ethyl-4,5-dihydro-2-methylspiro[furan-3(2H),4a(2)(2a(2)H)-pyrano[2,3-c]pyrazole]-5a(2)-carbonitrile
Database identifiers
- CAS
626221-27-0- PubChem CID
- 646248
- DTXSID
DTXSID001112496- ChEMBL
CHEMBL1507559
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 469
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Compound notes
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