Chemical ID: 7360175

Cc1nnc(n1N)SCC(=O)Nc2cccc(c2)C#N
Chemical ID:
7360175
Name [?]:
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyanophenyl)-acetamide
SMILES [?]:
Cc1nnc(n1N)SCC(=O)Nc2cccc(c2)C#N
InChi [?]:
InChI=1/C12H12N6OS/c1-8-16-17-12(18(8)14)20-7-11(19)15-10-4-2-3-9(5-10)6-13/h2-5H,7,14H2,1H3,(H,15,19)
InChi Info:
AuxInfo=1/1/N:1,15,16,14,18,19,9,2,17,13,10,5,20,7,12,3,4,6,11,8/rA:20nCCNNCNNSCCONCCCCCCCN/rB:s1;d2;s3;d4;s2s5;s6;s5;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;t19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12N6OS
All Atoms:32
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.78586
Area:498.952
Solvation:-3.68795
Coulombic:-43.9886
Bond Count [?]
All:21
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:288.33
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.6
LogP (Chemaxon):0.31

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Descriptor Annotations

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