Chemical ID: 4238717

CCn1c(nnc1SCC(=O)N)c2ccncc2
Chemical ID:
4238717
Name [?]:
2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)N)c2ccncc2
InChi [?]:
InChI=1/C11H13N5OS/c1-2-16-10(8-3-5-13-6-4-8)14-15-11(16)18-7-9(12)17/h3-6H,2,7H2,1H3,(H2,12,17)
InChi Info:
AuxInfo=1/1/N:1,2,14,18,15,17,9,13,10,4,7,12,16,5,6,3,11,8/E:(3,4)(5,6)/rA:18nCCNCNNCSCCONCCCNCC/rB:s1;s2;s3;d4;s5;s3d6;s7;s8;s9;d10;s10;s4;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13N5OS
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.90222
Area:446.785
Solvation:-3.26741
Coulombic:-40.6867
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:263.32
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.62
LogP (Chemaxon):-0.08

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue