1-(7,10,16-triazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-trien-2-yl)cyclopentan-1-ol

C19H27N3O — CID 90006880

IUPAC1-(7,10,16-triazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-trien-2-yl)cyclopentan-1-ol
SMILESOC1(c2ccc3c4c2N2CCCC2CN4CCNC3)CCCC1
InChIInChI=1S/C19H27N3O/c23-19(7-1-2-8-19)16-6-5-14-12-20-9-11-21-13-15-4-3-10-22(15)18(16)17(14)21/h5-6,15,20,23H,1-4,7-13H2
InChIKeyVRUFAALJQXALLI-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.34
Rot. Bonds1

About 1-(7,10,16-triazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-trien-2-yl)cyclopentan-1-ol

1-(7,10,16-triazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-trien-2-yl)cyclopentan-1-ol (PubChem CID 90006880) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 1-(7,10,16-triazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-trien-2-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(7,10,16-triazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-trien-2-yl)cyclopentan-1-ol
PubChem CID90006880
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name1-(7,10,16-triazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-trien-2-yl)cyclopentan-1-ol
SMILESOC1(c2ccc3c4c2N2CCCC2CN4CCNC3)CCCC1
InChIInChI=1S/C19H27N3O/c23-19(7-1-2-8-19)16-6-5-14-12-20-9-11-21-13-15-4-3-10-22(15)18(16)17(14)21/h5-6,15,20,23H,1-4,7-13H2
InChIKeyVRUFAALJQXALLI-UHFFFAOYSA-N
XLogP2.34
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7,10,16-triazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-trien-2-yl)cyclopentan-1-ol?
The IUPAC name of 1-(7,10,16-triazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-trien-2-yl)cyclopentan-1-ol (CID 90006880) is 1-(7,10,16-triazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-trien-2-yl)cyclopentan-1-ol.
What is the SMILES notation for 1-(7,10,16-triazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-trien-2-yl)cyclopentan-1-ol?
The canonical SMILES for 1-(7,10,16-triazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-trien-2-yl)cyclopentan-1-ol is OC1(c2ccc3c4c2N2CCCC2CN4CCNC3)CCCC1.
What is the InChIKey of 1-(7,10,16-triazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-trien-2-yl)cyclopentan-1-ol?
The InChIKey is VRUFAALJQXALLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c23-19(7-1-2-8-19)16-6-5-14-12-20-9-11-21-13-15-4-3-10-22(15)18(16)17(14)21/h5-6,15,20,23H,1-4,7-13H2.
What are the key properties of 1-(7,10,16-triazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-trien-2-yl)cyclopentan-1-ol?
1-(7,10,16-triazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-trien-2-yl)cyclopentan-1-ol has a molecular weight of 313.45 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,10,16-triazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-trien-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 90006880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).