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Chemical ID: 5157281
Chemical ID:
5157281
Name [?]:
N4-cyclopentyltriazine-4,5,6-triamine
SMILES [?]:
C1CCC(C1)Nc2c(c(nnn2)N)N
InChi [?]:
InChI=1/C8H14N6/c9-6-7(10)12-14-13-8(6)11-5-3-1-2-4-5/h5H,1-4H2,(H2,9,14)(H3,10,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,5,3,4,8,9,7,14,13,6,10,12,11/E:(1,2)(3,4)/rA:14nCCCCCNCCCNNNNN/rB:s1;s2;s3;s1s4;s4;s6;s7;d8;s9;d10;d7s11;s9;s8;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H14N6 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.80304 |
Area: | 363.592 |
Solvation: | -1.28675 |
Coulombic: | -50.1312 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 194.237 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 3 |
XLogP: | -0.16 |
LogP (Chemaxon): | -0.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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