Chemical ID: 7196988

Cc1c(cn(n1)C)c2cc(no2)C(=O)NN
Chemical ID:
7196988
Name [?]:
5-(1,3-dimethylpyrazol-4-yl)isoxazole-3-carbohydrazide
SMILES [?]:
Cc1c(cn(n1)C)c2cc(no2)C(=O)NN
InChi [?]:
InChI=1/C9H11N5O2/c1-5-6(4-14(2)12-5)8-3-7(13-16-8)9(15)11-10/h3-4H,10H2,1-2H3,(H,11,15)
InChi Info:
AuxInfo=1/1/N:1,7,9,4,2,3,10,8,13,16,15,6,11,5,14,12/rA:16nCCCCNNCCCCNOCONN/rB:s1;s2;d3;s4;d2s5;s5;s3;d8;s9;d10;s8s11;s10;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11N5O2
All Atoms:27
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.27531
Area:405.678
Solvation:-3.86664
Coulombic:-34.8214
Bond Count [?]
All:17
Single:12
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:221.216
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:-0.34
LogP (Chemaxon):-0.52

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue