Chem 5 4 Pyridyl 1h 1234 Tetrazole AlkaliMetal

Compound 218
  CheckMol                        TMF02:r0:m0
MF=C6H5N5 MW=147.14
 11 12  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3077    0.7658   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4845   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6155    0.0353   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3195   -2.2267   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6273   -1.4491   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9350   -2.1914   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.3135   -1.5669   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -4.1000   -3.6640   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -6.3267   -2.6626   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -5.5727   -3.9586   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
  1  2 02  0  1  0  0
  1  3 01  0  1  0  0
  2  4 01  0  1  0  0
  3  5 02  0  1  0  0
  4  6 02  0  1  0  0
  6  7  1  0  0  0  0
  7  8 02  0  1  0  0
  7  9 01  0  1  0  0
  8 10 01  0  1  0  0
  9 11 01  0  1  0  0
  5  6 01  0  1  0  0
 10 11 02  0  1  0  0
M  END

5-[4-Pyridyl]-1h-1,2,3,4-Tetrazole

₹ 0.00 0.00

Chemical Name - 5-[4-Pyridyl]-1h-1,2,3,4-Tetrazole
Mol Weight - 147.141
Smiles - c1cnccc1-c1nnn[nH]1

Property Name	Property Value
Mol Name	5-[4-Pyridyl]-1h-1,2,3,4-Tetrazole
Molweight	147.141
Monoisotopic Mass	147.054495
Clogp	-0.0749
Clogs	-2.103
H Acceptors	5
H Donors	1
Total Surface Area	117.63
Relative Psa	0.49197
Polar Surface Area	67.35
Druglikeness	-0.13186
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.63636
Molecular Flexibility	0.37226
Molecular Complexity	0.6452
Fragments	1
Non H Atoms	11
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetric Atoms	2
Aromatic Nitrogens	5
Smiles	c1cnccc1-c1nnn[nH]1
InChIKey	InChI=1S/C6H5N5/c1-3-7-4-2-5(1)6-8-10-11-9-6/h1-4H,(H,8,9,10,11)
InChI	JMILUUVWLRKJFB-UHFFFAOYSA-N

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5-[4-Pyridyl]-1h-1,2,3,4-Tetrazole