3-(Pyrazolylmethyl)pyrrolidino[2,1-c]1,2,4-triazole - CAS 1174879-99-2
Catalog: |
BB042962 |
Product Name: |
3-(Pyrazolylmethyl)pyrrolidino[2,1-c]1,2,4-triazole |
CAS: |
1174879-99-2 |
Synonyms: |
FCH923675; SBB026979; STK510351 |
IUPAC Name: | 3-(pyrazol-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole |
Description: | 3-(Pyrazolylmethyl)pyrrolidino[2,1-c]1,2,4-triazole (CAS# 1174879-99-2 ) is a useful research chemical. |
Molecular Weight: | 189.22 |
Molecular Formula: | C9H11N5 |
Canonical SMILES: | C1CC2=NN=C(N2C1)CN3C=CC=N3 |
InChI: | InChI=1S/C9H11N5/c1-3-8-11-12-9(14(8)6-1)7-13-5-2-4-10-13/h2,4-5H,1,3,6-7H2 |
InChI Key: | JQACPBDZLGDDHF-UHFFFAOYSA-N |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.10144537 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.10144537 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 48.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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