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Home > Nitro Compounds > 2060040-10-8
2060040-10-8 | 1-(5-nitro-4H-1,2,4-triazol-3-yl)piperazine
CAS No: 2060040-10-8 Catalog No: AG01BOYP MDL No:MFCD30499719
Product Description
Catalog Number:
AG01BOYP
Chemical Name:
1-(5-nitro-4H-1,2,4-triazol-3-yl)piperazine
CAS Number:
2060040-10-8
Molecular Formula:
C6H10N6O2
Molecular Weight:
198.1826
MDL Number:
MFCD30499719
IUPAC Name:
1-(5-nitro-1H-1,2,4-triazol-3-yl)piperazine
InChI:
InChI=1S/C6H10N6O2/c13-12(14)6-8-5(9-10-6)11-3-1-7-2-4-11/h7H,1-4H2,(H,8,9,10)
InChI Key:
YTUUAFZXEFKGLN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nnc([nH]1)N1CCNCC1
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.087g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.186g/mol
Monoisotopic Mass:
198.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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