6-methoxy-13-methyl-11-pyrrolidin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C15H16N4OS — CID 53370778

IUPAC6-methoxy-13-methyl-11-pyrrolidin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCOc1ncnc2c1sc1nc(N3CCCC3)cc(C)c12
InChIInChI=1S/C15H16N4OS/c1-9-7-10(19-5-3-4-6-19)18-15-11(9)12-13(21-15)14(20-2)17-8-16-12/h7-8H,3-6H2,1-2H3
InChIKeyGYSRZHIIAKASBY-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.16
Rot. Bonds2

About 6-methoxy-13-methyl-11-pyrrolidin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

6-methoxy-13-methyl-11-pyrrolidin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 53370778) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 6-methoxy-13-methyl-11-pyrrolidin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name6-methoxy-13-methyl-11-pyrrolidin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID53370778
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name6-methoxy-13-methyl-11-pyrrolidin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCOc1ncnc2c1sc1nc(N3CCCC3)cc(C)c12
InChIInChI=1S/C15H16N4OS/c1-9-7-10(19-5-3-4-6-19)18-15-11(9)12-13(21-15)14(20-2)17-8-16-12/h7-8H,3-6H2,1-2H3
InChIKeyGYSRZHIIAKASBY-UHFFFAOYSA-N
XLogP3.16
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-methoxy-13-methyl-11-pyrrolidin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-13-methyl-11-pyrrolidin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 6-methoxy-13-methyl-11-pyrrolidin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 53370778) is 6-methoxy-13-methyl-11-pyrrolidin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 6-methoxy-13-methyl-11-pyrrolidin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 6-methoxy-13-methyl-11-pyrrolidin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is COc1ncnc2c1sc1nc(N3CCCC3)cc(C)c12.
What is the InChIKey of 6-methoxy-13-methyl-11-pyrrolidin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is GYSRZHIIAKASBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-9-7-10(19-5-3-4-6-19)18-15-11(9)12-13(21-15)14(20-2)17-8-16-12/h7-8H,3-6H2,1-2H3.
What are the key properties of 6-methoxy-13-methyl-11-pyrrolidin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
6-methoxy-13-methyl-11-pyrrolidin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 300.39 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-13-methyl-11-pyrrolidin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 53370778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).