Basic information
- CAS
2853-38-5- Standard SMILES
CCN(CC)CCn1nnc2cncc([N+](=O)[O-])c21- InChIKey
XIKLXCHBZADKEE-UHFFFAOYSA-N- Molecular formula
- C11H16N6O2
- Average molar mass
- 264.28 g/mol
- Monoisotopic mass
- 264.13347377
Names & identifiers
- Preferred name
- Triazolo(4,5-c)pyridine, 1-(2-diethylaminoethyl)-7-nitro-
- IUPAC
- N,N-diethyl-2-(7-nitrotriazolo[4,5-c]pyridin-1-yl)ethanamine
- English name
- N,N-Diethyl-7-nitro-1H-1,2,3-triazolo[4,5-c]pyridine-1-ethanamine
- Molecular formula
- C11H16N6O2
- Molecular weight
- 264.28
Names & synonyms
2853-38-5BRN 05519711-(2-Diethylaminoethyl)-7-nitrotriazolo(4,5-c)pyridineTriazolo(4,5-c)pyridine, 1-(2-diethylaminoethyl)-7-nitro-RefChem:385772N,N-Diethyl-7-nitro-1H-1,2,3-triazolo[4,5-c]pyridine-1-ethanamineDTXSID20951222EBA41867N,N-Diethyl-2-(7-nitro-1H-[1,2,3]triazolo[4,5-c]pyridin-1-yl)ethan-1-amine1H-1,2,3-Triazolo[4,5-c]pyridine-1-ethanamine, N,N-diethyl-7-nitro-N,N-Diethyl-7-nitro-1H-1,2,3-triazolo[4,5-c]pyridine-1-ethan-1-amine
Database identifiers
- CAS
2853-38-5- PubChem CID
- 76110
- DTXSID
DTXSID20951222- Nikkaji
- J49.192F
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Boiling point
- 437.8 · 437.8±35.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 9.32 · 9.32±0.25(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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