5-Bromo-1-methyl-1H-1,2,4-triazole - CAS 16681-72-4
Catalog: |
BB012322 |
Product Name: |
5-Bromo-1-methyl-1H-1,2,4-triazole |
CAS: |
16681-72-4 |
Synonyms: |
5-bromo-1-methyl-1,2,4-triazole |
IUPAC Name: | 5-bromo-1-methyl-1,2,4-triazole |
Description: | 5-Bromo-1-methyl-1H-1,2,4-triazole (CAS# 16681-72-4) is a useful research chemical. |
Molecular Weight: | 161.99 |
Molecular Formula: | C3H4BrN3 |
Canonical SMILES: | CN1C(=NC=N1)Br |
InChI: | InChI=1S/C3H4BrN3/c1-7-3(4)5-2-6-7/h2H,1H3 |
InChI Key: | ZYLIOXAULQKGII-UHFFFAOYSA-N |
Boiling Point: | 255.9 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.93 g/cm3 |
MDL: | MFCD11109756 |
LogP: | 0.57760 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-102178181-B1 | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
KR-20200076655-A | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
US-2021317079-A1 | Tetralin and tetrahydroquinoline compounds as inhibitors of hif-2alpha | 20200319 |
WO-2021188769-A1 | Tetralin and tetrahydroquinoline compounds as inhibitors of hif-2alpha | 20200319 |
US-2021047294-A1 | Imidazolyl pyrimidinylamine compounds as cdk2 inhibitors | 20190814 |
Complexity: | 67.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.95886 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.95886 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 30.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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