1,5-Dihydrobenzo[1,2-d:4,5-d']bis([1,2,3]triazole) - CAS 7221-63-8
Catalog: |
BB034574 |
Product Name: |
1,5-Dihydrobenzo[1,2-d:4,5-d']bis([1,2,3]triazole) |
CAS: |
7221-63-8 |
Synonyms: |
5,6-dihydrotriazolo[4,5-f]benzotriazole; 5,6-dihydrotriazolo[4,5-f]benzotriazole |
IUPAC Name: | 5,6-dihydrotriazolo[4,5-f]benzotriazole |
Description: | 1,5-Dihydrobenzo[1,2-d:4,5-d']bis([1,2,3]triazole) (CAS# 7221-63-8 ) is a useful research chemical. |
Molecular Weight: | 160.14 |
Molecular Formula: | C6H4N6 |
Canonical SMILES: | C1=C2C(=NNN2)C=C3C1=NN=N3 |
InChI: | InChI=1S/C6H4N6/c1-3-5(9-11-7-3)2-6-4(1)8-12-10-6/h1-2,7,11H |
InChI Key: | CQHFYDYTMUPITM-UHFFFAOYSA-N |
LogP: | 0.22920 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021022224-A1 | Compounds, pharmaceutical compositions, and methods of their use in the inhibition of interaction between il18 and il18r | 20190801 |
WO-2019238567-A1 | Liquid crystalline medium | 20180611 |
US-2019203118-A1 | Benzotriazole derivatives as corrosion inhibitors | 20180103 |
WO-2019135991-A1 | Benzotriazole derivatives as corrosion inhibitors | 20180103 |
US-10858585-B2 | Benzotriazole derivatives as corrosion inhibitors | 20180103 |
Complexity: | 396 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.04974415 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.04974415 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 73.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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