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10187-86-7 | 4H-1,2,4-Triazol-3-amine, 4-methyl-5-(5-nitro-2-furanyl)-
CAS No: 10187-86-7 Catalog No: AG0005TB MDL No:
Product Description
Catalog Number:
AG0005TB
Chemical Name:
4H-1,2,4-Triazol-3-amine, 4-methyl-5-(5-nitro-2-furanyl)-
CAS Number:
10187-86-7
Molecular Formula:
C7H7N5O3
Molecular Weight:
209.1622
IUPAC Name:
4-methyl-5-(5-nitrofuran-2-yl)-1,2,4-triazol-3-amine
InChI:
InChI=1S/C7H7N5O3/c1-11-6(9-10-7(11)8)4-2-3-5(15-4)12(13)14/h2-3H,1H3,(H2,8,10)
InChI Key:
MYHQFJBXSAMNSD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(o1)c1nnc(n1C)N
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
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