4-pyridin-4-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene

C15H11N5S — CID 946996

IUPAC4-pyridin-4-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene
SMILESc1cc(-c2nc3c4c5c(sc4ncn3n2)CCC5)ccn1
InChIInChI=1S/C15H11N5S/c1-2-10-11(3-1)21-15-12(10)14-18-13(19-20(14)8-17-15)9-4-6-16-7-5-9/h4-8H,1-3H2
InChIKeyLZGKKBJRGDONCD-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.89
Rot. Bonds1

About 4-pyridin-4-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene

4-pyridin-4-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene (PubChem CID 946996) has the molecular formula C15H11N5S and a molecular weight of 293.35 g/mol. Its IUPAC name is 4-pyridin-4-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene.

Molecular Properties

Compound Name4-pyridin-4-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene
PubChem CID946996
Molecular FormulaC15H11N5S
Molecular Weight293.35 g/mol
Exact Mass293.07
IUPAC Name4-pyridin-4-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene
SMILESc1cc(-c2nc3c4c5c(sc4ncn3n2)CCC5)ccn1
InChIInChI=1S/C15H11N5S/c1-2-10-11(3-1)21-15-12(10)14-18-13(19-20(14)8-17-15)9-4-6-16-7-5-9/h4-8H,1-3H2
InChIKeyLZGKKBJRGDONCD-UHFFFAOYSA-N
XLogP2.89
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-pyridin-4-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene?
The IUPAC name of 4-pyridin-4-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene (CID 946996) is 4-pyridin-4-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene.
What is the SMILES notation for 4-pyridin-4-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene?
The canonical SMILES for 4-pyridin-4-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene is c1cc(-c2nc3c4c5c(sc4ncn3n2)CCC5)ccn1.
What is the InChIKey of 4-pyridin-4-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene?
The InChIKey is LZGKKBJRGDONCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5S/c1-2-10-11(3-1)21-15-12(10)14-18-13(19-20(14)8-17-15)9-4-6-16-7-5-9/h4-8H,1-3H2.
What are the key properties of 4-pyridin-4-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene?
4-pyridin-4-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene has a molecular weight of 293.35 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene is sourced from PubChem (CID 946996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).