5-Methyl-1,3,4-oxadiazol-2-amine - CAS 52838-39-8
Catalog: |
BB027963 |
Product Name: |
5-Methyl-1,3,4-oxadiazol-2-amine |
CAS: |
52838-39-8 |
Synonyms: |
5-methyl-1,3,4-oxadiazol-2-amine; 5-methyl-1,3,4-oxadiazol-2-amine |
IUPAC Name: | 5-methyl-1,3,4-oxadiazol-2-amine |
Description: | 5-Methyl-1,3,4-oxadiazol-2-amine (CAS# 52838-39-8) is used to study structure-activity relationships of endonuclease 1 inhibitors. |
Molecular Weight: | 99.09 |
Molecular Formula: | C3H5N3O |
Canonical SMILES: | CC1=NN=C(O1)N |
InChI: | InChI=1S/C3H5N3O/c1-2-5-6-3(4)7-2/h1H3,(H2,4,6) |
InChI Key: | XPXWYVCQCNFIIJ-UHFFFAOYSA-N |
Boiling Point: | 228.8 ℃ at 760 mmHg |
Density: | 1.283 g/cm3 |
Appearance: | Solid |
LogP: | 0.54140 |
GHS Hazard Statement: | H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021152037-A | Heterocyclic amide compound | 20210611 |
JP-2021006524-A | Heterocyclic compound | 20200626 |
JP-2020164533-A | Heterocyclic amide compound | 20200529 |
WO-2021209383-A1 | Herbicidal compounds | 20200417 |
WO-2021064073-A1 | Herbicidal compounds | 20191003 |
Complexity: | 67.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 99.043261792 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 99.043261792 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 64.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.9 |
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