Chemical ID: 4705780

c1cc(nc(c1)F)n2c(c(cn2)n3cncn3)O
Chemical ID:
4705780
Name [?]:
2-(6-fluoro-2-pyridyl)-4-(1,2,4-triazol-1-yl)pyrazol-3-ol
SMILES [?]:
c1cc(nc(c1)F)n2c(c(cn2)n3cncn3)O
InChi [?]:
InChI=1/C10H7FN6O/c11-8-2-1-3-9(15-8)17-10(18)7(4-13-17)16-6-12-5-14-16/h1-6,18H
InChi Info:
AuxInfo=1/0/N:1,6,2,11,16,14,10,5,3,9,7,15,12,17,4,13,8,18/rA:18nCCCNCCFNCCCNNCNCNO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;s8d11;s10;s13;d14;s15;s13d16;s9;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7FN6O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:5.5927
Area:399.743
Solvation:-4.40088
Coulombic:-41.0633
Bond Count [?]
All:20
Single:13
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:246.201
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:1.58
LogP (Chemaxon):0.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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