14-thia-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-ol

C10H15N3OS — CID 155358635

IUPAC14-thia-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-ol
SMILESOC1CCSc2c3c(nn2C1)CCNC3
InChIInChI=1S/C10H15N3OS/c14-7-2-4-15-10-8-5-11-3-1-9(8)12-13(10)6-7/h7,11,14H,1-6H2
InChIKeyCWMDOXDVEBUYBZ-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.39
Rot. Bonds

About 14-thia-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-ol

14-thia-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-ol (PubChem CID 155358635) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 14-thia-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-ol.

Molecular Properties

Compound Name14-thia-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-ol
PubChem CID155358635
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name14-thia-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-ol
SMILESOC1CCSc2c3c(nn2C1)CCNC3
InChIInChI=1S/C10H15N3OS/c14-7-2-4-15-10-8-5-11-3-1-9(8)12-13(10)6-7/h7,11,14H,1-6H2
InChIKeyCWMDOXDVEBUYBZ-UHFFFAOYSA-N
XLogP0.39
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 14-thia-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-ol?
The IUPAC name of 14-thia-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-ol (CID 155358635) is 14-thia-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-ol.
What is the SMILES notation for 14-thia-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-ol?
The canonical SMILES for 14-thia-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-ol is OC1CCSc2c3c(nn2C1)CCNC3.
What is the InChIKey of 14-thia-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-ol?
The InChIKey is CWMDOXDVEBUYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c14-7-2-4-15-10-8-5-11-3-1-9(8)12-13(10)6-7/h7,11,14H,1-6H2.
What are the key properties of 14-thia-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-ol?
14-thia-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-ol has a molecular weight of 225.32 g/mol, XLogP of 0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-thia-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-ol is sourced from PubChem (CID 155358635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).