RYD
Summary
Name: | (1-methylbenzotriazol-5-yl)methanol |
Formula: | C8 H9 N3 O |
Formal charge: | 0 |
Formula weight: | 163.177 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | (1-methylbenzotriazol-5-yl)methanol |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C8H9N3O/c1-11-8-3-2-6(5-12)4-7(8)9-10-11/h2-4,12H,5H2,1H3 |
InChIKey | InChI | 1.03 | HVLCKOBNGNRDPT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1nnc2cc(CO)ccc12 |
SMILES | CACTVS | 3.385 | Cn1nnc2cc(CO)ccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1c2ccc(cc2nn1)CO |
SMILES | OpenEye OEToolkits | 2.0.6 | Cn1c2ccc(cc2nn1)CO |