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Chemical ID: 5047806
Chemical ID:
5047806
Name [?]:
5-(3,5-dimethylpyrazol-1-yl)pyridazin-3-ol
SMILES [?]:
Cc1cc(n(n1)c2cc(nnc2)O)C
InChi [?]:
InChI=1/C9H10N4O/c1-6-3-7(2)13(12-6)8-4-9(14)11-10-5-8/h3-5H,1-2H3,(H,11,14)
InChi Info:
AuxInfo=1/1/N:1,14,3,8,12,2,4,7,9,11,10,6,5,13/rA:14nCCCCNNCCCNNCOC/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s9;d10;d7s11;s9;s4;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10N4O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.13136 |
Area: | 358.189 |
Solvation: | -2.82336 |
Coulombic: | -22.7 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 190.202 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 0.78 |
LogP (Chemaxon): | -0.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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