3-[2-Ethyl-5-(trifluoromethyl)pyrazol-3-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine - CAS 1174868-11-1
Catalog: |
BB042946 |
Product Name: |
3-[2-Ethyl-5-(trifluoromethyl)pyrazol-3-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine |
CAS: |
1174868-11-1 |
Synonyms: |
3-(1-Ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine; SBB026899; STK510293 |
IUPAC Name: | 3-[2-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine |
Description: | 3-[2-Ethyl-5-(trifluoromethyl)pyrazol-3-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine (CAS# 1174868-11-1 ) is a useful research chemical. |
Molecular Weight: | 299.29 |
Molecular Formula: | C13H16F3N5 |
Canonical SMILES: | CCN1C(=CC(=N1)C(F)(F)F)C2=NN=C3N2CCCCC3 |
InChI: | InChI=1S/C13H16F3N5/c1-2-21-9(8-10(19-21)13(14,15)16)12-18-17-11-6-4-3-5-7-20(11)12/h8H,2-7H2,1H3 |
InChI Key: | UVWUOMKMPQOJKY-UHFFFAOYSA-N |
Complexity: | 364 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 299.13578002 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 299.13578002 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 48.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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