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Chemical ID: 6685135
Chemical ID:
6685135
Name [?]:
3-cyclohexyl-6-dimethylamino-1-methyl-1,3,5-triazine-2,4-dione
SMILES [?]:
Cn1c(nc(=O)n(c1=O)C2CCCCC2)N(C)C
InChi [?]:
InChI=1/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:17,18,1,13,12,14,11,15,10,3,5,8,4,16,2,7,6,9/E:(1,2)(5,6)(7,8)/rA:18nCNCNCONCOCCCCCCNCC/rB:s1;s2;d3;s4;d5;s5;s2s7;d8;s7;s10;s11;s12;s13;s10s14;s3;s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H20N4O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.02324 |
Area: | 420.736 |
Solvation: | -1.49516 |
Coulombic: | -51.6418 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 252.313 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.24 |
LogP (Chemaxon): | 2.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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