5-Isopropyl-1,3,4-oxadiazol-2-amine - CAS 65283-97-8
Catalog: |
BB032688 |
Product Name: |
5-Isopropyl-1,3,4-oxadiazol-2-amine |
CAS: |
65283-97-8 |
Synonyms: |
5-propan-2-yl-1,3,4-oxadiazol-2-amine |
IUPAC Name: | 5-propan-2-yl-1,3,4-oxadiazol-2-amine |
Description: | 5-Isopropyl-1,3,4-oxadiazol-2-amine (CAS# 65283-97-8) is a useful research chemical compound. |
Molecular Weight: | 127.14 |
Molecular Formula: | C5H9N3O |
Canonical SMILES: | CC(C)C1=NN=C(O1)N |
InChI: | InChI=1S/C5H9N3O/c1-3(2)4-7-8-5(6)9-4/h3H,1-2H3,(H2,6,8) |
InChI Key: | IIOLDHZNWWMEHN-UHFFFAOYSA-N |
Boiling Point: | 236.41 ℃ at 760 mmHg |
Density: | 1.145 g/cm3 |
MDL: | MFCD09042012 |
LogP: | 1.35640 |
GHS Hazard Statement: | H302 (100%): 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 |
TW-201927778-A | Cyclohexyl acid triazoles as LPA antagonists | 20171219 |
BR-112020012177-A2 | triazole azoles of cyclohexylic acid as lpa antagonists | 20171219 |
CN-111712492-A | Cyclohexaneacetic acid triazolazoles as LPA antagonists | 20171219 |
KR-20200100713-A | Cyclohexyl acid triazole azole as an LPA antagonist | 20171219 |
JP-2021507900-A | Triazole cyclohexylate as an LPA antagonist | 20171219 |
Complexity: | 96.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 127.074561919 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 127.074561919 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 64.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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