Basic information
- CAS
10187-90-3- Standard SMILES
CCCNc1n[nH]c(-c2ccc([N+](=O)[O-])o2)n1- InChIKey
ZLNLRWHLKXFYMC-UHFFFAOYSA-N- Molecular formula
- C9H11N5O3
- Average molar mass
- 237.22 g/mol
- Monoisotopic mass
- 237.08618923
Names & identifiers
- Preferred name
- s-Triazole, 5-propylamino-3-(5-nitro-2-furyl)-
- IUPAC
- 5-(5-nitrofuran-2-yl)-N-propyl-1H-1,2,4-triazol-3-amine
- English name
- 5-(5-Nitrofuran-2-yl)-N-propyl-1H-1,2,4-triazol-3-amine
- Molecular formula
- C9H11N5O3
- Molecular weight
- 237.22
Names & synonyms
10187-90-3BRN 1134966s-Triazole, 5-propylamino-3-(5-nitro-2-furyl)-5-Propylamino-3-(5-nitro-2-furyl)-s-triazolePropylamine, N-(3-(5-nitro-2-furyl)-s-triazol-5-yl)-1H-1,2,4-Triazol-5-amine, 3-(5-nitro-2-furyl)-N-propyl-DTXSID70144309RefChem:379740DTXCID20668005-(5-nitrofuran-2-yl)-N-propyl-1H-1,2,4-triazol-3-amine1H-1,2,4-Triazol-5-amine,3-(5-nitro-2-furanyl)-N-propyl-3-(5-Nitrofuran-2-yl)-N-propyl-1H-1,2,4-triazol-5-amine
Show more names
5-(5-Nitro-2-furyl)-N-propyl-1H-1,2,4-triazol-3-amine
1H-1,2,4-Triazol-5-amine, 3-(5-nitro-2-furanyl)-N-propyl-
Database identifiers
- CAS
10187-90-3- PubChem CID
- 5483563
- DTXSID
DTXSID70144309- Nikkaji
- J49.180B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Boiling point
- 449.6 · 449.6±55.0 °C(Predicted)
- Density
- 1.423 · 1.423±0.06 g/cm3(Predicted)
- pka
- 9.73 · 9.73±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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