1-Cyclopentyl-1H-1,2,4-triazole-5-carbaldehyde - CAS 1823421-59-5
Catalog: |
BB051480 |
Product Name: |
1-Cyclopentyl-1H-1,2,4-triazole-5-carbaldehyde |
CAS: |
1823421-59-5 |
Synonyms: |
1H-1,2,4-Triazole-5-carboxaldehyde, 1-cyclopentyl-; 2-Cyclopentyl-2H-[1,2,4]triazole-3-carbaldehyde |
IUPAC Name: | 2-cyclopentyl-1,2,4-triazole-3-carbaldehyde |
Molecular Weight: | 165.19 |
Molecular Formula: | C8H11N3O |
Canonical SMILES: | C1CCC(C1)N2C(=NC=N2)C=O |
InChI: | InChI=1S/C8H11N3O/c12-5-8-9-6-10-11(8)7-3-1-2-4-7/h5-7H,1-4H2 |
InChI Key: | XHLBPKRDFDZMBX-UHFFFAOYSA-N |
Boiling Point: | 339.5±25.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.35±0.1 g/cm3 (Predicted) |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.090211983 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.090211983 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 47.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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