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Chemical ID: 5758246
Chemical ID:
5758246
Name [?]:
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)triazole-4-carbohydrazide
SMILES [?]:
C1CCN(C1)Cc2c(nnn2c3c(non3)N)C(=O)NN
InChi [?]:
InChI=1/C10H15N9O2/c11-8-9(16-21-15-8)19-6(5-18-3-1-2-4-18)7(14-17-19)10(20)13-12/h1-5,12H2,(H2,11,15)(H,13,20)
InChi Info:
AuxInfo=1/1/N:1,2,5,3,6,7,8,13,12,18,17,21,20,9,14,16,10,4,11,19,15/E:(1,2)(3,4)/rA:21nCCCNCCCCNNNCCNONNCONN/rB:s1;s2;s3;s1s4;s4;s6;d7;s8;d9;s7s10;s11;s12;d13;s14;d12s15;s13;s8;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H15N9O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.43438 |
Area: | 456.349 |
Solvation: | -2.97436 |
Coulombic: | -58.772 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 293.286 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 5 |
XLogP: | -0.93 |
LogP (Chemaxon): | -1.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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