5-Bromo-1-ethyl-1H-1,2,4-triazole - CAS 64907-55-7
Catalog: |
BB032589 |
Product Name: |
5-Bromo-1-ethyl-1H-1,2,4-triazole |
CAS: |
64907-55-7 |
Synonyms: |
5-bromo-1-ethyl-1,2,4-triazole |
IUPAC Name: | 5-bromo-1-ethyl-1,2,4-triazole |
Description: | 5-Bromo-1-ethyl-1H-1,2,4-triazole (CAS# 64907-55-7) is a useful research chemical. |
Molecular Weight: | 176.01 |
Molecular Formula: | C4H6BrN3 |
Canonical SMILES: | CCN1C(=NC=N1)Br |
InChI: | InChI=1S/C4H6BrN3/c1-2-8-4(5)6-3-7-8/h3H,2H2,1H3 |
InChI Key: | JHTVMKGZVICRCM-UHFFFAOYSA-N |
Purity: | 95 % |
MDL: | MFCD16987772 |
LogP: | 1.06050 |
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 |
AU-2014283150-A1 | Novel CYP17 inhibitors/antiandrogens | 20130611 |
AU-2014283150-B2 | Novel CYP17 inhibitors/antiandrogens | 20130611 |
EA-029280-B1 | Novel cyp17 inhibitors/antiandrogens | 20130611 |
EP-3008042-A1 | Novel cyp17 inhibitors/antiandrogens | 20130611 |
KR-20160019928-A | Novel cyp17 inhibitors/antiandrogens | 20130611 |
Complexity: | 77.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.97451 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.97451 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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