3,5-Dibromo-1-methyl-1,2,4-triazole - CAS 23579-79-5
Catalog: |
BB018097 |
Product Name: |
3,5-Dibromo-1-methyl-1,2,4-triazole |
CAS: |
23579-79-5 |
Synonyms: |
3,5-dibromo-1-methyl-1,2,4-triazole; 3,5-dibromo-1-methyl-1,2,4-triazole |
IUPAC Name: | 3,5-dibromo-1-methyl-1,2,4-triazole |
Description: | 3,5-Dibromo-1-methyl-1,2,4-triazole (CAS# 23579-79-5) is an intermediate in the preparation of modulators of Rho-associated protein kinase. |
Molecular Weight: | 240.88 |
Molecular Formula: | C3H3Br2N3 |
Canonical SMILES: | CN1C(=NC(=N1)Br)Br |
InChI: | InChI=1S/C3H3Br2N3/c1-8-3(5)6-2(4)7-8/h1H3 |
InChI Key: | OAPQSGTTZLYWJB-UHFFFAOYSA-N |
MDL: | MFCD09426402 |
LogP: | 1.34010 |
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 |
CN-113066992-A | Alkaline aqueous single flow battery based on double-metal MOF positive electrode and organic matter negative electrode | 20210308 |
WO-2021127337-A1 | Trpml modulators | 20191219 |
US-2021061802-A1 | Substituted pyridopyrimidinonyl compounds useful as t cell activators | 20190828 |
WO-2021041588-A1 | Substituted pyridopyrimidinonyl compounds useful as t cell activators | 20190828 |
WO-2019145729-A1 | Heterocyclylamino-substituted triazoles as modulators of rho-associated protein kinase | 20180125 |
Complexity: | 88.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.86732 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.86937 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 30.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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