1-(3-hydroxypropyl)-1H-1,2,3-benzotriazole-5-carbonitrile - CAS 1435049-21-0
Catalog: |
BB009615 |
Product Name: |
1-(3-hydroxypropyl)-1H-1,2,3-benzotriazole-5-carbonitrile |
CAS: |
1435049-21-0 |
Synonyms: |
1-(3-hydroxypropyl)-5-benzotriazolecarbonitrile; 1-(3-hydroxypropyl)benzotriazole-5-carbonitrile |
IUPAC Name: | 1-(3-hydroxypropyl)benzotriazole-5-carbonitrile |
Description: | 1-(3-hydroxypropyl)-1H-1,2,3-benzotriazole-5-carbonitrile (CAS# 1435049-21-0 ) is a useful research chemical. |
Molecular Weight: | 202.217 |
Molecular Formula: | C10H10N4O |
Canonical SMILES: | C1=CC2=C(C=C1C#N)N=NN2CCCO |
InChI: | InChI=1S/C10H10N4O/c11-7-8-2-3-10-9(6-8)12-13-14(10)4-1-5-15/h2-3,6,15H,1,4-5H2 |
InChI Key: | FOKUTEQCTCEWDD-UHFFFAOYSA-N |
LogP: | 0.68538 |
Publication Number | Title | Priority Date |
WO-2020244452-A1 | HETEROCYCLIC DERIVATIVE HAVING β2 RECEPTOR AGITATION AND M RECEPTOR ANTAGONISTIC ACTIVITY AND MEDICAL USE THEREOF | 20190606 |
CN-107074833-A | With β2The Benzocyclodirivative of receptor agonism and M3 receptor antagonist activities and its in purposes pharmaceutically | 20150721 |
EP-3375781-A1 | Benzo ring derivative with b2 receptor agonist and m3 receptor antagonist activities and use thereof in medicine | 20150721 |
TW-201708211-A | Benzocyclo derivative having β 2 receptor agonism and M3 receptor antagonistic activity and its use in medicine | 20150721 |
TW-I665197-B | Benzocyclic derivative with β2 receptor agonism and M3 receptor antagonistic activity and its use in medicine | 20150721 |
Complexity: | 261 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.08546096 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.08546096 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 74.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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