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1949816-34-5 | 7-Amino-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-ol hydrochloride
CAS No: 1949816-34-5 Catalog No: AG01FMQQ MDL No:MFCD28359740
Product Description
Catalog Number:
AG01FMQQ
Chemical Name:
7-Amino-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-ol hydrochloride
CAS Number:
1949816-34-5
Molecular Formula:
C6H5ClF3N5O
Molecular Weight:
255.5850
MDL Number:
MFCD28359740
IUPAC Name:
7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one;hydrochloride
InChI:
InChI=1S/C6H4F3N5O.ClH/c7-6(8,9)4-12-5-11-3(15)1-2(10)14(5)13-4;/h1H,10H2,(H,11,12,13,15);1H
InChI Key:
DRAHPJGSKGINOR-UHFFFAOYSA-N
SMILES:
Oc1cc(N)n2c(n1)nc(n2)C(F)(F)F.Cl
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.013g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
255.585g/mol
Monoisotopic Mass:
255.013g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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