1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-5-ylmethanol

C12H16N2O — CID 118055321

IUPAC1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-5-ylmethanol
SMILESOCc1ccc2c3c1CCN3CCNC2
InChIInChI=1S/C12H16N2O/c15-8-10-2-1-9-7-13-4-6-14-5-3-11(10)12(9)14/h1-2,13,15H,3-8H2
InChIKeyKOQHOVNLRBIKMM-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.64
Rot. Bonds1

About 1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-5-ylmethanol

1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-5-ylmethanol (PubChem CID 118055321) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-5-ylmethanol.

Molecular Properties

Compound Name1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-5-ylmethanol
PubChem CID118055321
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-5-ylmethanol
SMILESOCc1ccc2c3c1CCN3CCNC2
InChIInChI=1S/C12H16N2O/c15-8-10-2-1-9-7-13-4-6-14-5-3-11(10)12(9)14/h1-2,13,15H,3-8H2
InChIKeyKOQHOVNLRBIKMM-UHFFFAOYSA-N
XLogP0.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-5-ylmethanol?
The IUPAC name of 1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-5-ylmethanol (CID 118055321) is 1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-5-ylmethanol.
What is the SMILES notation for 1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-5-ylmethanol?
The canonical SMILES for 1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-5-ylmethanol is OCc1ccc2c3c1CCN3CCNC2.
What is the InChIKey of 1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-5-ylmethanol?
The InChIKey is KOQHOVNLRBIKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c15-8-10-2-1-9-7-13-4-6-14-5-3-11(10)12(9)14/h1-2,13,15H,3-8H2.
What are the key properties of 1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-5-ylmethanol?
1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-5-ylmethanol has a molecular weight of 204.27 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-5-ylmethanol is sourced from PubChem (CID 118055321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).