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Chemical ID: 6152143
Chemical ID:
6152143
Name [?]:
3-ethylsulfanyl-5-(3-pyridyl)-1,2,4-triazol-4-amine
SMILES [?]:
CCSc1nnc(n1N)c2cccnc2
InChi [?]:
InChI=1/C9H11N5S/c1-2-15-9-13-12-8(14(9)10)7-4-3-5-11-6-7/h3-6H,2,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,12,11,13,15,10,7,4,9,14,6,5,8,3/rA:15nCCSCNNCNNCCCCNC/rB:s1;s2;s3;d4;s5;d6;s4s7;s8;s7;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11N5S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.08636 |
Area: | 395.685 |
Solvation: | -1.80575 |
Coulombic: | -28.2854 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 221.283 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 1.22 |
LogP (Chemaxon): | 0.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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