Chemical ID: 5047806

Cc1cc(n(n1)c2cc(nnc2)O)C
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

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Descriptor Annotations

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