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Chemical ID: 7196988
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
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Experimental Annotations
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Descriptor Annotations
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