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16227-15-9 | 4,4'-Bi-4H-1,2,4-triazole
CAS No: 16227-15-9 Catalog No: AG001SXY MDL No:
Product Description
Catalog Number:
AG001SXY
Chemical Name:
4,4'-Bi-4H-1,2,4-triazole
CAS Number:
16227-15-9
Molecular Formula:
C4H4N6
Molecular Weight:
136.1148
IUPAC Name:
4-(1,2,4-triazol-4-yl)-1,2,4-triazole
InChI:
InChI=1S/C4H4N6/c1-5-6-2-9(1)10-3-7-8-4-10/h1-4H
InChI Key:
RDYNPUWAAJSGIP-UHFFFAOYSA-N
SMILES:
n1ncn(c1)n1cnnc1
Properties
Complexity:
90.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.05g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.118g/mol
Monoisotopic Mass:
136.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
Literature
| Title | Journal |
|---|---|
| Zinc(II) and cadmium(II) chloride complexes with 4,4'-bi-1,2,4-triazole. | Acta crystallographica. Section C, Crystal structure communications 20080501 |
| Copper(II) and cadmium(II) isothiocyanate coordination polymers with 4,4'-bi-1,2,4-triazole. | Acta crystallographica. Section C, Crystal structure communications 20080301 |
| catena-Poly[[diaquadiisothiocyanatoiron(II)]-mu-4,4'-bi-1,2,4-triazole]: a one-dimensional coordination polymer. | Acta crystallographica. Section C, Crystal structure communications 20070501 |
| Crystal structure, magnetic properties, and 57Fe Mössbauer spectroscopy of the two-dimensional coordination polymers [M(1,2-bis(1,2,4-triazol-4-yl)ethane)2(NCS)2] (MII = Fe, Co). | Inorganic chemistry 20051226 |
| Energetic quaternary salts containing bi(1,2,4-triazoles). | Inorganic chemistry 20051003 |
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