Basic information
- CAS
757995-72-5- Standard SMILES
C#CCn1nncc1[N+](=O)[O-]- InChIKey
PMDQYTUPLIHVPS-UHFFFAOYSA-N- Molecular formula
- C5H4N4O2
- Average molar mass
- 152.11 g/mol
- Monoisotopic mass
- 152.03342538
Names & identifiers
- Preferred name
- 5-Nitro-1-prop-2-ynyltriazole
- IUPAC
- 5-nitro-1-prop-2-ynyltriazole
- English name
- 1H-1,2,3-Triazole,5-nitro-1-(2-propynyl)-(9CI)
- Molecular formula
- C5H4N4O2
- Molecular weight
- 152.11
Names & synonyms
5-nitro-1-prop-2-ynyltriazole1H-1,2,3-Triazole, 5-nitro-1-(2-propyn-1-yl)-1H-1,2,3-Triazole,5-nitro-1-(2-propynyl)-(9CI)
Database identifiers
- CAS
757995-72-5- PubChem CID
- 45091775
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 202
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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