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1909314-04-0 | 1-(dimethyl-4H-1,2,4-triazol-3-yl)piperazine dihydroiodide
CAS No: 1909314-04-0 Catalog No: AG01B1V6 MDL No:MFCD29907198
Product Description
Catalog Number:
AG01B1V6
Chemical Name:
1-(dimethyl-4H-1,2,4-triazol-3-yl)piperazine dihydroiodide
CAS Number:
1909314-04-0
Molecular Formula:
C8H17I2N5
Molecular Weight:
437.0630
MDL Number:
MFCD29907198
IUPAC Name:
1-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazine;dihydroiodide
InChI:
InChI=1S/C8H15N5.2HI/c1-7-10-11-8(12(7)2)13-5-3-9-4-6-13;;/h9H,3-6H2,1-2H3;2*1H
InChI Key:
YDWVGFYDBNIWTR-UHFFFAOYSA-N
SMILES:
Cc1nnc(n1C)N1CCNCC1.I.I
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.957g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
437.068g/mol
Monoisotopic Mass:
436.957g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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