3-Amino-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole - CAS 1547010-07-0
Catalog: |
BB011045 |
Product Name: |
3-Amino-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole |
CAS: |
1547010-07-0 |
Synonyms: |
4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine; 4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine |
IUPAC Name: | 4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine |
Description: | 3-Amino-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole (CAS# 1547010-07-0) is a useful research chemical. |
Molecular Weight: | 166.10 |
Molecular Formula: | C4H5F3N4 |
Canonical SMILES: | CN1C(=NN=C1N)C(F)(F)F |
InChI: | InChI=1S/C4H5F3N4/c1-11-2(4(5,6)7)9-10-3(11)8/h1H3,(H2,8,10) |
InChI Key: | JRLCOCIDNHEROZ-UHFFFAOYSA-N |
LogP: | 0.99730 |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.04663066 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.04663066 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 56.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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