5-(3-Pentyl)tetrazole - CAS 1372810-17-7
Catalog: |
BB008536 |
Product Name: |
5-(3-Pentyl)tetrazole |
CAS: |
1372810-17-7 |
Synonyms: |
5-pentan-3-yl-2H-tetrazole; 5-pentan-3-yl-2H-tetrazole |
IUPAC Name: | 5-pentan-3-yl-2H-tetrazole |
Description: | 5-(Pentan-3-yl)-1H-tetrazole can be used as reactant/reagent in synthetic preparation of sterically stressed constitutional isomers of azaphthalocyanines with fused triazolo rings. |
Molecular Weight: | 140.19 |
Molecular Formula: | C6H12N4 |
Canonical SMILES: | CCC(CC)C1=NNN=N1 |
InChI: | InChI=1S/C6H12N4/c1-3-5(4-2)6-7-9-10-8-6/h5H,3-4H2,1-2H3,(H,7,8,9,10) |
InChI Key: | MQWSGPKPFURBIC-UHFFFAOYSA-N |
LogP: | 1.10330 |
Publication Number | Title | Priority Date |
US-2017129881-A1 | Trpm8 antagonists | 20111219 |
EP-2207773-A2 | Heterocyclic compound and pharmaceutical composition thereof | 20071030 |
EP-2207773-B1 | Heterocyclic compound and pharmaceutical composition thereof | 20071030 |
US-2010261720-A1 | Heterocyclic compound and pharmaceutical composition thereof | 20071030 |
WO-2009057811-A2 | Heterocyclic compound and pharmaceutical composition thereof | 20071030 |
Complexity: | 91.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.1061964 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.1061964 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 54.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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