Chem 2 Amino 4 Methoxy 6 Methyl 135 Triazine Ncc

Compound 64
  CheckMol                        TMF02:r0:m0
MF=C5H8N4O MW=140.14
 10 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2950   -0.7485   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3188   -0.7485   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2831   -2.2455   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.5900    0.0238   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.5781   -2.9821   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8850   -0.7247   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8731   -2.2217   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.5662   -4.4790   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1800    0.0356   -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
  6  8 02  0  1  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7  8 01  0  1  0  0
M  END

2-Amino-4-methoxy-6-methyl-1,3,5-triazine

₹ 0.00 0.00

Chemical Name - 2-Amino-4-methoxy-6-methyl-1,3,5-triazine
Mol Weight - 140.146
Smiles - Cc1nc(OC)nc(N)n1
InChI - NXFQWRWXEYTOTK-UHFFFAOYSA-N
InChIKey - InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)

Property Name	Property Value
Mol Name	2-Amino-4-methoxy-6-methyl-1,3,5-triazine
Molweight	140.146
Monoisotopic Mass	140.069811
Clogp	0.1978
Clogs	-1.253
H Acceptors	5
H Donors	1
Total Surface Area	112.58
Relative Psa	0.51679
Polar Surface Area	73.92
Druglikeness	-1.7702
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.6
Molecular Flexibility	0.26123
Molecular Complexity	0.65917
Fragments	1
Non H Atoms	10
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	3
Aromatic Nitrogens	3
Smiles	Cc1nc(OC)nc(N)n1
InChIKey	InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)
InChI	NXFQWRWXEYTOTK-UHFFFAOYSA-N

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1 - 2-Amino-4-methoxy-6-methyl-1,3,5-triazine
2 - 2-Amino-4-methoxy-6-methyl-1,3,5-triazine

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2-Amino-4-methoxy-6-methyl-1,3,5-triazine