Chemical ID: 7160759

c1cn(nc1C(=O)NN)Cn2cc(cn2)Br
Chemical ID:
7160759
Name [?]:
1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbohydrazide
SMILES [?]:
c1cn(nc1C(=O)NN)Cn2cc(cn2)Br
InChi [?]:
InChI=1/C8H9BrN6O/c9-6-3-11-15(4-6)5-14-2-1-7(13-14)8(16)12-10/h1-4H,5,10H2,(H,12,16)
InChi Info:
AuxInfo=1/1/N:1,2,14,12,10,13,5,6,16,9,15,8,4,3,11,7/rA:16nCCNNCCONNCNCCCNBr/rB:d1;s2;s3;s1d4;s5;d6;s6;s8;s3;s10;s11;d12;s13;s11d14;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H9BrN6O
All Atoms:25
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.54514
Area:420.334
Solvation:-3.96322
Coulombic:-35.7478
Bond Count [?]
All:17
Single:12
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:285.101
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:0.16
LogP (Chemaxon):0.66

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