Chemical ID: 5320508

Cc1c(=O)[nH]c(nn1)SC(C)C
Chemical ID:
5320508
Name [?]:
3-isopropylsulfanyl-6-methyl-4H-1,2,4-triazin-5-one
SMILES [?]:
Cc1c(=O)[nH]c(nn1)SC(C)C
InChi [?]:
InChI=1/C7H11N3OS/c1-4(2)12-7-8-6(11)5(3)9-10-7/h4H,1-3H3,(H,8,10,11)
InChi Info:
AuxInfo=1/1/N:11,12,1,10,2,3,6,5,8,7,4,9/E:(1,2)/rA:12nCCCONCNNSCCC/rB:s1;s2;d3;s3;s5;d6;d2s7;s6;s9;s10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H11N3OS
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.36575
Area:346.511
Solvation:-1.29701
Coulombic:-26.5407
Bond Count [?]
All:12
Single:9
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:185.248
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.67
LogP (Chemaxon):0.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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