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10187-84-5 | 1H-1,2,4-Triazol-5-amine, N-methyl-3-(5-nitro-2-furanyl)-
CAS No: 10187-84-5 Catalog No: AG0005TC MDL No:
Product Description
Catalog Number:
AG0005TC
Chemical Name:
1H-1,2,4-Triazol-5-amine, N-methyl-3-(5-nitro-2-furanyl)-
CAS Number:
10187-84-5
Molecular Formula:
C7H7N5O3
Molecular Weight:
209.1622
IUPAC Name:
N-methyl-5-(5-nitrofuran-2-yl)-1H-1,2,4-triazol-3-amine
InChI:
InChI=1S/C7H7N5O3/c1-8-7-9-6(10-11-7)4-2-3-5(15-4)12(13)14/h2-3H,1H3,(H2,8,9,10,11)
InChI Key:
XKSGTCCXIBWORN-UHFFFAOYSA-N
SMILES:
CNc1[nH]nc(n1)c1ccc(o1)[N+](=O)[O-]
Properties
Complexity:
245
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:
2
Isotope Atom Count:
0
Molecular Weight:
209.165g/mol
Monoisotopic Mass:
209.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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