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Chemical ID: 5759989
Chemical ID:
5759989
Name [?]:
N,3-dicyclohexyl-5-(2H-pyrazol-3-yl)triazol-4-amine
SMILES [?]:
c1cn[nH]c1c2c(n(nn2)C3CCCCC3)NC4CCCCC4
InChi [?]:
InChI=1/C17H26N6/c1-3-7-13(8-4-1)19-17-16(15-11-12-18-20-15)21-22-23(17)14-9-5-2-6-10-14/h11-14,19H,1-10H2,(H,18,20)
InChi Info:
AuxInfo=1/1/N:21,14,20,22,13,15,19,23,12,16,1,2,18,11,5,6,7,3,17,4,10,9,8/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCCNNCCCNNNCCCCCCNCCCCCC/rB:s1;d2;s3;d1s4;s5;d6;s7;s8;s6d9;s8;s11;s12;s13;s14;s11s15;s7;s17;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H26N6 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3617 |
Area: | 502.968 |
Solvation: | -2.2125 |
Coulombic: | -27.3141 |
Bond Count [?]
All: | 26 |
Single: | 22 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 314.429 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.43 |
LogP (Chemaxon): | 2.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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