3-(1H-Pyrazol-1-Ylmethyl)-5,6,7,8-Tetrahydro[1,2,4]Triazolo[4,3-A]Pyridine - CAS 1172079-91-2
Catalog: |
BB052962 |
Product Name: |
3-(1H-Pyrazol-1-Ylmethyl)-5,6,7,8-Tetrahydro[1,2,4]Triazolo[4,3-A]Pyridine |
CAS: |
1172079-91-2 |
Synonyms: |
3-((1H-Pyrazol-1-yl)methyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine |
IUPAC Name: | 3-(pyrazol-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine |
Molecular Weight: | 203.24 |
Molecular Formula: | C10H13N5 |
Canonical SMILES: | C1CCN2C(=NN=C2CN3C=CC=N3)C1 |
InChI: | InChI=1S/C10H13N5/c1-2-7-15-9(4-1)12-13-10(15)8-14-6-3-5-11-14/h3,5-6H,1-2,4,7-8H2 |
InChI Key: | LEAJFRZARNXSCU-UHFFFAOYSA-N |
Boiling Point: | 431.9±47.0 °C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.11709544 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.11709544 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 48.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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