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Home > Nitro Compounds > 2060026-58-4
2060026-58-4 | 1-methyl-4-(5-nitro-4H-1,2,4-triazol-3-yl)piperazine
CAS No: 2060026-58-4 Catalog No: AG01BOYQ MDL No:MFCD30499720
Product Description
Catalog Number:
AG01BOYQ
Chemical Name:
1-methyl-4-(5-nitro-4H-1,2,4-triazol-3-yl)piperazine
CAS Number:
2060026-58-4
Molecular Formula:
C7H12N6O2
Molecular Weight:
212.2092
MDL Number:
MFCD30499720
IUPAC Name:
1-methyl-4-(5-nitro-1H-1,2,4-triazol-3-yl)piperazine
InChI:
InChI=1S/C7H12N6O2/c1-11-2-4-12(5-3-11)6-8-7(10-9-6)13(14)15/h2-5H2,1H3,(H,8,9,10)
InChI Key:
JCRZNMCCVIYABL-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1nnc([nH]1)[N+](=O)[O-]
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.102g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.213g/mol
Monoisotopic Mass:
212.102g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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