Basic information
- CAS
76973-33-6- Standard SMILES
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1C(C)(C)C(C#N)=C(N)O2- InChIKey
RMEPMOIEPBKECI-UHFFFAOYSA-N- Molecular formula
- C16H15N5O3
- Average molar mass
- 325.32 g/mol
- Monoisotopic mass
- 325.11748936
Names & identifiers
- Preferred name
- 6-Amino-1-(4-(hydroxy(oxido)amino)phenyl)-3,4,4-trimethyl-1,4-dihydropyrano(2,3-c)pyrazole-5-carbonitrile
- IUPAC
- 6-amino-3,4,4-trimethyl-1-(4-nitrophenyl)pyrano[3,2-d]pyrazole-5-carbonitrile
Names & synonyms
76973-33-6NSC3536396-Amino-1-(4-(hydroxy(oxido)amino)phenyl)-3,4,4-trimethyl-1,4-dihydropyrano(2,3-c)pyrazole-5-carbonitrileNSC 353639NSC-3536396-Amino-1-(4-(hydroxy(oxido)amino)phenyl)-3,4,4-trimethyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrileA47TCG63GVDTXSID602277566-amino-3,4,4-trimethyl-1-(4-nitrophenyl)pyrano[2,3-c]pyrazole-5-carbonitrile6-Amino-3,4,4-trimethyl-1-(4-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile6-amino-3,4,4-trimethyl-1-(4-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrilePyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-1,4-dihydro-3,4,4-trimethyl-1-(4-nitrophenyl)-
Database identifiers
- CAS
76973-33-6- PubChem CID
- 337026
- DTXSID
DTXSID60227756- UNII
- A47TCG63GV
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 609
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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