5-Bromo-1,2,4-triazole-3-carbonitrile - CAS 1427475-12-4
Catalog: |
BB009427 |
Product Name: |
5-Bromo-1,2,4-triazole-3-carbonitrile |
CAS: |
1427475-12-4 |
Synonyms: |
5-bromo-1H-1,2,4-triazole-3-carbonitrile; 5-bromo-1H-1,2,4-triazole-3-carbonitrile |
IUPAC Name: | 5-bromo-1H-1,2,4-triazole-3-carbonitrile |
Description: | 5-Bromo-1,2,4-triazole-3-carbonitrile (CAS# 1427475-12-4) is a useful research chemical. |
Molecular Weight: | 172.97 |
Molecular Formula: | C3HBrN4 |
Canonical SMILES: | C(#N)C1=NNC(=N1)Br |
InChI: | InChI=1S/C3HBrN4/c4-3-6-2(1-5)7-8-3/h(H,6,7,8) |
InChI Key: | PUWSMKDRNSIONG-UHFFFAOYSA-N |
LogP: | 0.43888 |
Publication Number | Title | Priority Date |
EP-3558978-A1 | Modulators of indoleamine 2,3-dioxygenase | 20161220 |
JP-2020502189-A | Modulators of indoleamine 2,3-dioxygenase | 20161220 |
US-2020115374-A1 | Modulators of indoleamine 2,3-dioxygenase | 20161220 |
WO-2018116107-A1 | Modulators of indoleamine 2,3-dioxygenase | 20161220 |
US-10899754-B2 | Modulators of indoleamine 2,3-dioxygenase | 20161220 |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.93846 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.93846 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 65.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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