Chemical ID: 4786690

Cc1cc(no1)c2nnc(n2C)SC
Chemical ID:
4786690
Name [?]:
4-methyl-3-(5-methylisoxazol-3-yl)-5-methylsulfanyl-1,2,4-triazole
SMILES [?]:
Cc1cc(no1)c2nnc(n2C)SC
InChi [?]:
InChI=1/C8H10N4OS/c1-5-4-6(11-13-5)7-9-10-8(14-3)12(7)2/h4H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,14,3,2,4,7,10,8,9,5,11,6,13/rA:14nCCCCNOCNNCNCSC/rB:s1;d2;s3;d4;s2s5;s4;d7;s8;d9;s7s10;s11;s10;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H10N4OS
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.49439
Area:380.103
Solvation:-2.00817
Coulombic:-16.0589
Bond Count [?]
All:15
Single:11
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:210.257
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.93
LogP (Chemaxon):1.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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