1-Isopropyl-3-methyl-1,2,4-triazole - CAS 1401305-30-3
Catalog: |
BB009038 |
Product Name: |
1-Isopropyl-3-methyl-1,2,4-triazole |
CAS: |
1401305-30-3 |
Synonyms: |
3-methyl-1-propan-2-yl-1,2,4-triazole; 3-methyl-1-propan-2-yl-1,2,4-triazole |
IUPAC Name: | 3-methyl-1-propan-2-yl-1,2,4-triazole |
Description: | 1-Isopropyl-3-methyl-1,2,4-triazole (CAS# 1401305-30-3 ) is a useful research chemical. |
Molecular Weight: | 125.17 |
Molecular Formula: | C6H11N3 |
Canonical SMILES: | CC1=NN(C=N1)C(C)C |
InChI: | InChI=1S/C6H11N3/c1-5(2)9-4-7-6(3)8-9/h4-5H,1-3H3 |
InChI Key: | MUCDLINLVSFNPQ-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
Publication Number | Title | Priority Date |
WO-2021068816-A1 | Alkene-containing amide compound and use thereof | 20191008 |
WO-2021046407-A1 | Rip1 inhibitory compounds and methods for making and using the same | 20190906 |
WO-2021028645-A1 | Plasma kallikrein inhibitors | 20190809 |
WO-2021028649-A1 | Plasma kallikrein inhibitors | 20190809 |
US-2020172540-A1 | Tyk2 inhibitors and uses thereof | 20181130 |
Complexity: | 92.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 125.095297364 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 125.095297364 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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