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10187-89-0 | 1H-1,2,4-Triazol-5-amine, N-ethyl-3-(5-nitro-2-furanyl)-
CAS No: 10187-89-0 Catalog No: AG0005TA MDL No:
Product Description
Catalog Number:
AG0005TA
Chemical Name:
1H-1,2,4-Triazol-5-amine, N-ethyl-3-(5-nitro-2-furanyl)-
CAS Number:
10187-89-0
Molecular Formula:
C8H9N5O3
Molecular Weight:
223.1888
IUPAC Name:
N-ethyl-5-(5-nitrofuran-2-yl)-1H-1,2,4-triazol-3-amine
InChI:
InChI=1S/C8H9N5O3/c1-2-9-8-10-7(11-12-8)5-3-4-6(16-5)13(14)15/h3-4H,2H2,1H3,(H2,9,10,11,12)
InChI Key:
LCVICUZEQMCUFD-UHFFFAOYSA-N
SMILES:
CCNc1[nH]nc(n1)c1ccc(o1)[N+](=O)[O-]
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.071g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.192g/mol
Monoisotopic Mass:
223.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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