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10187-90-3 | 1H-1,2,4-Triazol-5-amine, 3-(5-nitro-2-furanyl)-N-propyl-
CAS No: 10187-90-3 Catalog No: AG0005T9 MDL No:
Product Description
Catalog Number:
AG0005T9
Chemical Name:
1H-1,2,4-Triazol-5-amine, 3-(5-nitro-2-furanyl)-N-propyl-
CAS Number:
10187-90-3
Molecular Formula:
C9H11N5O3
Molecular Weight:
237.2153
IUPAC Name:
5-(5-nitrofuran-2-yl)-N-propyl-1H-1,2,4-triazol-3-amine
InChI:
InChI=1S/C9H11N5O3/c1-2-5-10-9-11-8(12-13-9)6-3-4-7(17-6)14(15)16/h3-4H,2,5H2,1H3,(H2,10,11,12,13)
InChI Key:
ZLNLRWHLKXFYMC-UHFFFAOYSA-N
SMILES:
CCCNc1[nH]nc(n1)c1ccc(o1)[N+](=O)[O-]
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.086g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.219g/mol
Monoisotopic Mass:
237.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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