Chemical ID: 4085808

Cc1c(=O)[nH]c(nn1)SC
Chemical ID:
4085808
Name [?]:
6-methyl-3-methylsulfanyl-4H-1,2,4-triazin-5-one
SMILES [?]:
Cc1c(=O)[nH]c(nn1)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;s5;d6;d2s7;s6;s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H7N3OS
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.32463
Area:307.301
Solvation:-1.35789
Coulombic:-25.78
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:1.01
LogP (Chemaxon):-0.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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