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Chemical ID: 7375303
Chemical ID:
7375303
Name [?]:
3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILES [?]:
CC1CCC2(CC1)C(=O)N(C(=O)N2)Cc3nc(nc(n3)N)N
InChi [?]:
InChI=1/C13H19N7O2/c1-7-2-4-13(5-3-7)9(21)20(12(22)19-13)6-8-16-10(14)18-11(15)17-8/h7H,2-6H2,1H3,(H,19,22)(H4,14,15,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,14,2,15,8,17,19,11,5,22,21,16,20,18,13,10,9,12/E:(2,3)(4,5)(10,11)(14,15)(16,17)/rA:22nCCCCCCCCONCONCCNCNCNNN/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;d11;s5s11;s10;s14;s15;d16;s17;d18;d15s19;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19N7O2 |
All Atoms: | 41 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.37023 |
Area: | 483.806 |
Solvation: | -2.72492 |
Coulombic: | -90.7955 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 305.336 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 6 |
XLogP: | -0.59 |
LogP (Chemaxon): | 0.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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