Chemical ID: 7333387

Cc1c(=O)nc([nH]n1)SC
Chemical ID:
7333387
Name [?]:
6-methyl-3-methylsulfanyl-2H-1,2,4-triazin-5-one
SMILES [?]:
Cc1c(=O)nc([nH]n1)SC
InChi [?]:
InChI=1/C5H7N3OS/c1-3-4(9)6-5(10-2)8-7-3/h1-2H3,(H,6,8,9)
InChi Info:
AuxInfo=1/1/N:1,10,2,3,6,5,8,7,4,9/rA:10nCCCONCNNSC/rB:s1;s2;d3;s3;d5;s6;d2s7;s6;s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H7N3OS
All Atoms:17
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.20167
Area:305.17
Solvation:-1.42757
Coulombic:-27.0816
Bond Count [?]
All:10
Single:7
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:157.195
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.85
LogP (Chemaxon):0.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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