Chemical ID: 4307386

Cc1c(c(n[nH]1)C)Sc2c(=O)[nH]c(=O)[nH]n2
Chemical ID:
4307386
Name [?]:
6-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-2H-1,2,4-triazine-3,5-dione
SMILES [?]:
Cc1c(c(n[nH]1)C)Sc2c(=O)[nH]c(=O)[nH]n2
InChi [?]:
InChI=1/C8H9N5O2S/c1-3-5(4(2)11-10-3)16-7-6(14)9-8(15)13-12-7/h1-2H3,(H,10,11)(H2,9,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,7,2,4,3,10,9,13,12,6,5,16,15,11,14,8/E:(1,2)(3,4)(10,11)/rA:16nCCCCNNCSCCONCONN/rB:s1;d2;s3;d4;s2s5;s4;s3;s8;s9;d10;s10;s12;d13;s13;d9s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H9N5O2S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.96698
Area:394.315
Solvation:-2.8909
Coulombic:-51.7407
Bond Count [?]
All:17
Single:12
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:239.256
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.72
LogP (Chemaxon):-1.12

Name Annotations

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Descriptor Annotations

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