Home Aminos 3-(2-amino-4-fluorophenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one

3-(2-amino-4-fluorophenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one

CAS No.:
1249582-57-7
Catalog Number:
AG01EJAS
Molecular Formula:
C8H7FN4O
Molecular Weight:
194.1658
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Product Description
Catalog Number:
AG01EJAS
Chemical Name:
3-(2-amino-4-fluorophenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CAS Number:
1249582-57-7
Molecular Formula:
C8H7FN4O
Molecular Weight:
194.1658
MDL Number:
MFCD14640867
IUPAC Name:
3-(2-amino-4-fluorophenyl)-3,4-dihydro-1,2,4-triazol-5-one
InChI:
InChI=1S/C8H7FN4O/c9-4-1-2-5(6(10)3-4)7-11-8(14)13-12-7/h1-3,7H,10H2,(H,11,14)
InChI Key:
XTUQVMVOVSWQNS-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)N)c1n[nH]c(=O)[nH]1
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.06g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
194.169g/mol
Monoisotopic Mass:
194.06g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties