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Chemical ID: 4099614
Chemical ID:
4099614
Name [?]:
3-amino-6-(1-piperidyl)-1,2,5-thiadiazin-4-one
SMILES [?]:
C1CCN(CC1)c2nc(=O)c(ns2)N
InChi [?]:
InChI=1/C8H12N4OS/c9-6-7(13)10-8(14-11-6)12-4-2-1-3-5-12/h1-5H2,(H2,9,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,11,9,7,14,8,12,4,10,13/E:(2,3)(4,5)/rA:14nCCCNCCCNCOCNSN/rB:s1;s2;s3;s4;s1s5;s4;d7;s8;d9;s9;d11;s7s12;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H12N4OS |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.39018 |
Area: | 361.08 |
Solvation: | -1.63681 |
Coulombic: | -45.4868 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 212.273 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.17 |
LogP (Chemaxon): | 1.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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