5-(Difluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol - CAS 1018125-45-5
Catalog: |
BB048214 |
Product Name: |
5-(Difluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol |
CAS: |
1018125-45-5 |
Synonyms: |
5-(Difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
IUPAC Name: | 5-(difluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one |
Description: | 5-(Difluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol (CAS# 1018125-45-5 ) is a useful research chemical. |
Molecular Weight: | 186.12 |
Molecular Formula: | C6H4F2N4O |
Canonical SMILES: | C1=C(N=C2N=CNN2C1=O)C(F)F |
InChI: | InChI=1S/C6H4F2N4O/c7-5(8)3-1-4(13)12-6(11-3)9-2-10-12/h1-2,5H,(H,9,10,11) |
InChI Key: | RLKMNQGQPSTGAH-UHFFFAOYSA-N |
Purity: | 98 % |
Complexity: | 347 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.03531709 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.03531709 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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