Chemical ID: 4746462

Cc1cc(no1)n2cnc(n2)c3cnoc3C
Chemical ID:
4746462
Name [?]:
1-(5-methylisoxazol-3-yl)-3-(5-methylisoxazol-4-yl)-1,2,4-triazole
SMILES [?]:
Cc1cc(no1)n2cnc(n2)c3cnoc3C
InChi [?]:
InChI=1/C10H9N5O2/c1-6-3-9(14-16-6)15-5-11-10(13-15)8-4-12-17-7(8)2/h3-5H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,3,13,8,2,16,12,4,10,9,14,11,5,7,6,15/rA:17nCCCCNONCNCNCCNOCC/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s9;s7d10;s10;s12;d13;s14;d12s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9N5O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.9154
Area:409.905
Solvation:-3.33222
Coulombic:-16.9781
Bond Count [?]
All:19
Single:13
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:231.211
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.73
LogP (Chemaxon):0.97

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Descriptor Annotations

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