Chemical ID: 7189329

CC1CC(n2c(cc(n2)C(=O)NN)N1)C(C(F)(F)F)(F)F
Chemical ID:
7189329
Name [?]:
4-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1,5,9-triazabicyclo[4.3.0]nona-6,8-diene-8-carbohydrazide
SMILES [?]:
CC1CC(n2c(cc(n2)C(=O)NN)N1)C(C(F)(F)F)(F)F
InChi [?]:
InChI=1/C10H12F5N5O/c1-4-2-6(9(11,12)10(13,14)15)20-7(17-4)3-5(19-20)8(21)18-16/h3-4,6,17H,2,16H2,1H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,3,7,2,8,4,6,10,15,16,20,21,17,18,19,13,14,12,9,5,11/E:(11,12)(13,14,15)/rA:21cCCCCNCCCNCONNNCCFFFFF/rB:s1;s2;s3;s4;s5;d6;s7;s5d8;s8;d10;s10;s12;s2s6;s4;s15;s16;s16;s16;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12F5N5O
All Atoms:33
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:6.87136
Area:434.106
Solvation:-3.9813
Coulombic:-74.2667
Bond Count [?]
All:22
Single:19
Double:3
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:313.227
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:2.01
LogP (Chemaxon):1.04

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