3-[1-(Difluoromethyl)-5-methyl-1H-pyrazol-3-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine - CAS 1174830-44-4
Catalog: |
BB053194 |
Product Name: |
3-[1-(Difluoromethyl)-5-methyl-1H-pyrazol-3-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine |
CAS: |
1174830-44-4 |
Synonyms: |
3-(1-(Difluoromethyl)-5-methyl-1H-pyrazol-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine |
IUPAC Name: | 3-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine |
Molecular Weight: | 267.28 |
Molecular Formula: | C12H15F2N5 |
Canonical SMILES: | CC1=CC(=NN1C(F)F)C2=NN=C3N2CCCCC3 |
InChI: | InChI=1S/C12H15F2N5/c1-8-7-9(17-19(8)12(13)14)11-16-15-10-5-3-2-4-6-18(10)11/h7,12H,2-6H2,1H3 |
InChI Key: | ANFUKABXGUABCD-UHFFFAOYSA-N |
Boiling Point: | 437.5±55.0 °C at 760 mmHg |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 317 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.12955182 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.12955182 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 48.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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