Chemical ID: 4445624

Cc1cn2c(nnc2s1)c3cccnc3
Chemical ID:
4445624
Name [?]:
7-methyl-2-(3-pyridyl)-6-thia-1,3,4-triazabicyclo[3.3.0]octa-2,4,7-triene
SMILES [?]:
Cc1cn2c(nnc2s1)c3cccnc3
InChi [?]:
InChI=1/C10H8N4S/c1-7-6-14-9(12-13-10(14)15-7)8-3-2-4-11-5-8/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,15,3,2,10,5,8,14,6,7,4,9/rA:15nCCCNCNNCSCCCCNC/rB:s1;d2;s3;s4;d5;s6;s4d7;s2s8;s5;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8N4S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.74593
Area:379.196
Solvation:-1.73396
Coulombic:-16.3888
Bond Count [?]
All:17
Single:11
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:216.263
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.63
LogP (Chemaxon):0.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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