In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 9 | Yes |
Popular Name: Pyrazinamide Pyrazinamide
1,2-dihydro-1,2,4-triazol-3-one
5-25-04-00178 (Beilstein Handbook Reference)
98-96-4; C01956; Pyrazinamide; Pyrazinoic acid amide
98-96-4; CPD000036662; Pyrazinamide; SAM002554927
98-96-4; D00144; Pyrazinamide (JP16/USP/INN); Pyrazinamide (TN)
98-96-4; Prestwick_811; Pyrazinamide
AZT + Pyrazinamide combination
CPD000036662; Pyrazinamide; SAM002554927
InChI=1/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9
pyrazinamide; pyrazine carboxylamide; pyrazinecarboxamide; pyrazinoic acid amide
Pyrazinoic acid amide, Pezetamid, Pyrafat, Zinamide, Tebrazid, Pyrafat, Pyrazinamide
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | -0.51 | -4.55 | -7.5 | 2 | 4 | 0 | 70 | 123.115 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Mp [°C] | 188 - 191 | Acros Organics |
MP | 189 - 191 | Enamine Building Blocks |
MP | 189...191 | Enamine Building Blocks |
MP | 190 | TCI |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 97% | Fluorochem |
Therapy | antibacterial (tuberculostatic) | SMDC Iconix |
therap | antibacterial, tuberculostatic | MicroSource Spectrum |
PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : P-9640; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER | NIH Clinical Collection via PubChem |
S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: P-9640; SUPPLIER_COMMENTS: WHITE POWDER | NIH Clinical Collection via PubChem |
No pre-computed analogs available. Try a structural similarity search.