1-Ethyl-1H-1,2,4-triazole - CAS 16778-70-4
Catalog: |
BB053496 |
Product Name: |
1-Ethyl-1H-1,2,4-triazole |
CAS: |
16778-70-4 |
Synonyms: |
1H-1,2,4-Triazole, 1-ethyl- |
IUPAC Name: | 1-ethyl-1,2,4-triazole |
Molecular Weight: | 97.12 |
Molecular Formula: | C4H7N3 |
Canonical SMILES: | CCN1C=NC=N1 |
InChI: | InChI=1S/C4H7N3/c1-2-7-4-5-3-6-7/h3-4H,2H2,1H3 |
InChI Key: | FEOIYPLRWRCSMS-UHFFFAOYSA-N |
Boiling Point: | 65-68 °C at 760 mmHg |
Density: | 1.11±0.1 g/cm3 |
Complexity: | 54.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 97.063997236 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 97.063997236 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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