Basic information
- CAS
43180-83-2- Standard SMILES
c1ncn(CCN2CCCC2)n1- InChIKey
PGYXLTZSSAXNND-UHFFFAOYSA-N- Molecular formula
- C8H14N4
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.12184646
Names & identifiers
- Preferred name
- 1-(2-Pyrrolidinylethyl)-1H-1,2,4-triazole
- IUPAC
- 1-(2-pyrrolidin-1-ylethyl)-1,2,4-triazole
Names & synonyms
43180-83-21-(2-Pyrrolidinylethyl)-1H-1,2,4-triazoleBRN 07783091H-1,2,4-Triazole, 1-(2-pyrrolidinylethyl)-DTXSID109629481-[2-(Pyrrolidin-1-yl)ethyl]-1H-1,2,4-triazole
Database identifiers
- CAS
43180-83-2- PubChem CID
- 206232
- DTXSID
DTXSID10962948
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 34 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 133
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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