5-Ethynyl-1-methyl-1H-1,2,4-triazole - CAS 55847-46-6
Catalog: |
BB029197 |
Product Name: |
5-Ethynyl-1-methyl-1H-1,2,4-triazole |
CAS: |
55847-46-6 |
Synonyms: |
5-ethynyl-1-methyl-1,2,4-triazole; 5-ethynyl-1-methyl-1,2,4-triazole |
IUPAC Name: | 5-ethynyl-1-methyl-1,2,4-triazole |
Description: | 5-Ethynyl-1-methyl-1H-1,2,4-triazole (CAS# 55847-46-6 ) is a useful research chemical. |
Molecular Weight: | 107.11 |
Molecular Formula: | C5H5N3 |
Canonical SMILES: | CN1C(=NC=N1)C#C |
InChI: | InChI=1S/C5H5N3/c1-3-5-6-4-7-8(5)2/h1,4H,2H3 |
InChI Key: | UVJMGPFHMYNHBV-UHFFFAOYSA-N |
LogP: | -0.20360 |
Complexity: | 123 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 107.048347172 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 107.048347172 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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