10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene

C13H11N3S — CID 83086528

IUPAC10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
SMILESc1cncc(-c2cn3c4c(sc3n2)CCC4)c1
InChIInChI=1S/C13H11N3S/c1-4-11-12(5-1)17-13-15-10(8-16(11)13)9-3-2-6-14-7-9/h2-3,6-8H,1,4-5H2
InChIKeyWKTHCJUUKGOWFZ-UHFFFAOYSA-N
MW241.32 g/mol
LogP2.95
Rot. Bonds1

About 10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene

10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene (PubChem CID 83086528) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene.

Molecular Properties

Compound Name10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
PubChem CID83086528
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
SMILESc1cncc(-c2cn3c4c(sc3n2)CCC4)c1
InChIInChI=1S/C13H11N3S/c1-4-11-12(5-1)17-13-15-10(8-16(11)13)9-3-2-6-14-7-9/h2-3,6-8H,1,4-5H2
InChIKeyWKTHCJUUKGOWFZ-UHFFFAOYSA-N
XLogP2.95
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene?
The IUPAC name of 10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene (CID 83086528) is 10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene.
What is the SMILES notation for 10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene?
The canonical SMILES for 10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene is c1cncc(-c2cn3c4c(sc3n2)CCC4)c1.
What is the InChIKey of 10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene?
The InChIKey is WKTHCJUUKGOWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-4-11-12(5-1)17-13-15-10(8-16(11)13)9-3-2-6-14-7-9/h2-3,6-8H,1,4-5H2.
What are the key properties of 10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene?
10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene has a molecular weight of 241.32 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene is sourced from PubChem (CID 83086528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).