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1600-63-1 | 1H-1,2,4-Triazol-5-amine, 1-methyl-3-(5-nitro-2-furanyl)-
CAS No: 1600-63-1 Catalog No: AG001RL5 MDL No:
Product Description
Catalog Number:
AG001RL5
Chemical Name:
1H-1,2,4-Triazol-5-amine, 1-methyl-3-(5-nitro-2-furanyl)-
CAS Number:
1600-63-1
Molecular Formula:
C7H7N5O3
Molecular Weight:
209.1622
IUPAC Name:
2-methyl-5-(5-nitrofuran-2-yl)-1,2,4-triazol-3-amine
InChI:
InChI=1S/C7H7N5O3/c1-11-7(8)9-6(10-11)4-2-3-5(15-4)12(13)14/h2-3H,1H3,(H2,8,9,10)
InChI Key:
XRSFZPFTOHBAEO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(o1)c1nn(c(n1)N)C
NSC Number:
102625
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.055g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.165g/mol
Monoisotopic Mass:
209.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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