| Canonical Smiles | C1=CC=C(C=C1)C2=NN(N=N2)CCO |
|---|---|
| IUPAC Name | 2-(5-phenyltetrazol-2-yl)ethanol |
| InChIKey | ICGDKYKEHUQCFR-UHFFFAOYSA-N |
| INCHI | 1S/C9H10N4O/c14-7-6-13-11-9(10-12-13)8-4-2-1-3-5-8/h1-5,14H,6-7H2 |
| Molecular Weight | 190.200 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Tetrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenyltetrazoles and derivatives |
| Alternative Parents | Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Alkanolamines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenyltetrazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 190.200 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 190.085 Da |
| Monoisotopic Mass | 190.085 Da |
| Topological Polar Surface Area | 63.800 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 172.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
