Chemical ID: 6152143

CCSc1nnc(n1N)c2cccnc2
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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