8-butyl-13-thia-8,10,15-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene

C15H15N3S — CID 57338139

IUPAC8-butyl-13-thia-8,10,15-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene
SMILESCCCCn1c2ccccc2c2nc3sccn3c21
InChIInChI=1S/C15H15N3S/c1-2-3-8-17-12-7-5-4-6-11(12)13-14(17)18-9-10-19-15(18)16-13/h4-7,9-10H,2-3,8H2,1H3
InChIKeyBUQODTAWWWGEIM-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.30
Rot. Bonds3

About 8-butyl-13-thia-8,10,15-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene

8-butyl-13-thia-8,10,15-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene (PubChem CID 57338139) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 8-butyl-13-thia-8,10,15-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene.

Molecular Properties

Compound Name8-butyl-13-thia-8,10,15-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene
PubChem CID57338139
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name8-butyl-13-thia-8,10,15-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene
SMILESCCCCn1c2ccccc2c2nc3sccn3c21
InChIInChI=1S/C15H15N3S/c1-2-3-8-17-12-7-5-4-6-11(12)13-14(17)18-9-10-19-15(18)16-13/h4-7,9-10H,2-3,8H2,1H3
InChIKeyBUQODTAWWWGEIM-UHFFFAOYSA-N
XLogP4.30
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-butyl-13-thia-8,10,15-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-butyl-13-thia-8,10,15-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene?
The IUPAC name of 8-butyl-13-thia-8,10,15-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene (CID 57338139) is 8-butyl-13-thia-8,10,15-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene.
What is the SMILES notation for 8-butyl-13-thia-8,10,15-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene?
The canonical SMILES for 8-butyl-13-thia-8,10,15-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene is CCCCn1c2ccccc2c2nc3sccn3c21.
What is the InChIKey of 8-butyl-13-thia-8,10,15-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene?
The InChIKey is BUQODTAWWWGEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-2-3-8-17-12-7-5-4-6-11(12)13-14(17)18-9-10-19-15(18)16-13/h4-7,9-10H,2-3,8H2,1H3.
What are the key properties of 8-butyl-13-thia-8,10,15-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene?
8-butyl-13-thia-8,10,15-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene has a molecular weight of 269.37 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-13-thia-8,10,15-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene is sourced from PubChem (CID 57338139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).