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25979-00-4 | 1H-1,2,4-Triazol-5-amine, 3-(trifluoromethyl)-
CAS No: 25979-00-4 Catalog No: AG002RA0 MDL No:MFCD00226063
Product Description
Catalog Number:
AG002RA0
Chemical Name:
1H-1,2,4-Triazol-5-amine, 3-(trifluoromethyl)-
CAS Number:
25979-00-4
Molecular Formula:
C3H3F3N4
Molecular Weight:
152.0779
MDL Number:
MFCD00226063
IUPAC Name:
5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine
InChI:
InChI=1S/C3H3F3N4/c4-3(5,6)1-8-2(7)10-9-1/h(H3,7,8,9,10)
InChI Key:
NQNDCVURMZJFNR-UHFFFAOYSA-N
SMILES:
Nc1[nH]nc(n1)C(F)(F)F
NSC Number:
515970
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.031g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
152.08g/mol
Monoisotopic Mass:
152.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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