1-Isopropyl-1H-1,2,4-triazole - CAS 63936-02-7
Catalog: |
BB032330 |
Product Name: |
1-Isopropyl-1H-1,2,4-triazole |
CAS: |
63936-02-7 |
Synonyms: |
1-propan-2-yl-1,2,4-triazole; 1-propan-2-yl-1,2,4-triazole |
IUPAC Name: | 1-propan-2-yl-1,2,4-triazole |
Description: | 1-Isopropyl-1H-1,2,4-triazole (CAS# 63936-02-7) is a useful research chemical. |
Molecular Weight: | 111.15 |
Molecular Formula: | C5H9N3 |
Canonical SMILES: | CC(C)N1C=NC=N1 |
InChI: | InChI=1S/C5H9N3/c1-5(2)8-4-6-3-7-8/h3-5H,1-2H3 |
InChI Key: | RDTUDLGSHURRHY-UHFFFAOYSA-N |
MDL: | MFCD18889704 |
LogP: | 0.85900 |
Publication Number | Title | Priority Date |
US-10669262-B2 | Aminopyrazine diol compounds as PI3K-γ inhibitors | 20180308 |
US-2019276435-A1 | AMINOPYRAZINE DIOL COMPOUNDS AS PI3K-y INHIBITORS | 20180308 |
US-2020339542-A1 | AMINOPYRAZINE DIOL COMPOUNDS AS PI3K-y INHIBITORS | 20180308 |
US-2020331903-A1 | 3-(5-amino-pyrazin-2-yl)-benzenesulfonamide derivatives and related compounds as pi3k-gamma kinase inhibitors for treating e.g. cancer | 20171221 |
US-2019015400-A1 | Antifungal Compositions | 20170717 |
Complexity: | 72.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 111.0796473 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 111.0796473 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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