Chem 5 Isopropyl 3 Methoxy 2 Methylpyrazine Dsrpl

Compound 158
  CheckMol                        TMF02:r0:m0
MF=C9H14N2O MW=166.22
 12 12  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2946   -0.7482   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3183   -0.7363   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5891    0.0119   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.2827   -2.2447   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8837   -0.7363   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5772   -2.9810   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0356   -2.9810   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8718   -2.2328   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1782    0.0238   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4728   -0.7126   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1663    1.5440   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4 02  0  1  0  0
  2  5 01  0  1  0  0
  4  6 01  0  1  0  0
  5  7 02  0  1  0  0
  5  8  1  0  0  0  0
  6  9 02  0  1  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  7  9 01  0  1  0  0
M  END

5-isopropyl-3-methoxy-2-methylpyrazine

₹ 0.00 0.00

Chemical Name - 5-isopropyl-3-methoxy-2-methylpyrazine
Mol Weight - 166.223
Smiles - CC(C)c1cnc(C)c(OC)n1

Property Name	Property Value
Mol Name	5-isopropyl-3-methoxy-2-methylpyrazine
Molweight	166.223
Monoisotopic Mass	166.110613
Clogp	1.5781
Clogs	-1.832
H Acceptors	3
Total Surface Area	142.32
Relative Psa	0.22442
Polar Surface Area	35.01
Druglikeness	-1.8487
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.58333
Molecular Flexibility	0.38115
Molecular Complexity	0.67384
Fragments	1
Non H Atoms	12
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	6
Symmetric Atoms	1
Aromatic Nitrogens	2
Smiles	CC(C)c1cnc(C)c(OC)n1
InChIKey	InChI=1S/C9H14N2O/c1-6(2)8-5-10-7(3)9(11-8)12-4/h5-6H,1-4H3
InChI	XAODRCOHPUSQSU-UHFFFAOYSA-N

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1 - 5-isopropyl-3-methoxy-2-methylpyrazine
2 - 5-isopropyl-3-methoxy-2-methylpyrazine

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5-isopropyl-3-methoxy-2-methylpyrazine