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Home > Nitro Compounds > 2059971-12-7
2059971-12-7 | 1-ethyl-4-(5-nitro-4H-1,2,4-triazol-3-yl)piperazine
CAS No: 2059971-12-7 Catalog No: AG01BOYR MDL No:MFCD30499721
Product Description
Catalog Number:
AG01BOYR
Chemical Name:
1-ethyl-4-(5-nitro-4H-1,2,4-triazol-3-yl)piperazine
CAS Number:
2059971-12-7
Molecular Formula:
C8H14N6O2
Molecular Weight:
226.2358
MDL Number:
MFCD30499721
IUPAC Name:
1-ethyl-4-(5-nitro-1H-1,2,4-triazol-3-yl)piperazine
InChI:
InChI=1S/C8H14N6O2/c1-2-12-3-5-13(6-4-12)7-9-8(11-10-7)14(15)16/h2-6H2,1H3,(H,9,10,11)
InChI Key:
XKRHKNUQRCJQEP-UHFFFAOYSA-N
SMILES:
CCN1CCN(CC1)c1nnc([nH]1)[N+](=O)[O-]
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.118g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.24g/mol
Monoisotopic Mass:
226.118g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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