Chemical ID: 5758246

C1CCN(C1)Cc2c(nnn2c3c(non3)N)C(=O)NN
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

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