Chem 5 4 Methyl 2 Pyridyl 1h 1234 Tetrazole AlkaliMetal

Compound 259
  CheckMol                        TMF02:r0:m0
MF=C7H7N5 MW=161.17
 12 13  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3060    0.7648   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2825    0.7530   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6120    0.0235   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3178    2.2708   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2707    2.2590   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9886    0.6471   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.7767   -1.4472   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0353    3.0238   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.0005   -0.4471   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -4.2475   -1.7413   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0471    4.5298   -0.0000 C   0  0  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  1  0  0  0  0
  2  5 01  0  1  0  0
  3  6 02  0  1  0  0
  4  7 02  0  1  0  0
  4  8 01  0  1  0  0
  5  9 02  0  1  0  0
  7 10 01  0  1  0  0
  8 11 01  0  1  0  0
  9 12  1  0  0  0  0
  6  9 01  0  1  0  0
 10 11 02  0  1  0  0
M  END

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

₹ 0.00 0.00

Chemical Name - 5-[4-Methyl-2-Pyridyl]-1h-1,2,3,4-Tetrazole
Mol Weight - 161.168
Smiles - Cc1cc(-c2nnn[nH]2)ncc1

Property Name	Property Value
Mol Name	5-[4-Methyl-2-Pyridyl]-1h-1,2,3,4-Tetrazole
Molweight	161.168
Monoisotopic Mass	161.070145
Clogp	0.36
Clogs	-2.139
H Acceptors	5
H Donors	1
Total Surface Area	129.89
Relative Psa	0.44553
Polar Surface Area	67.35
Druglikeness	-0.2707
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.58333
Molecular Flexibility	0.35136
Molecular Complexity	0.70078
Fragments	1
Non H Atoms	12
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3 Atoms	1
Aromatic Nitrogens	5
Smiles	Cc1cc(-c2nnn[nH]2)ncc1
InChIKey	InChI=1S/C7H7N5/c1-5-2-3-8-6(4-5)7-9-11-12-10-7/h2-4H,1H3,(H,9,10,11,12)
InChI	SYXDTRMEVOZMGE-UHFFFAOYSA-N

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