1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-ylmethanol

C11H12N2O — CID 46707887

IUPAC1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-ylmethanol
SMILESOCc1nc2cccc3c2n1CCC3
InChIInChI=1S/C11H12N2O/c14-7-10-12-9-5-1-3-8-4-2-6-13(10)11(8)9/h1,3,5,14H,2,4,6-7H2
InChIKeySQWICPXTAJTKMV-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.47
Rot. Bonds1

About 1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-ylmethanol

1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-ylmethanol (PubChem CID 46707887) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-ylmethanol.

Molecular Properties

Compound Name1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-ylmethanol
PubChem CID46707887
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-ylmethanol
SMILESOCc1nc2cccc3c2n1CCC3
InChIInChI=1S/C11H12N2O/c14-7-10-12-9-5-1-3-8-4-2-6-13(10)11(8)9/h1,3,5,14H,2,4,6-7H2
InChIKeySQWICPXTAJTKMV-UHFFFAOYSA-N
XLogP1.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-ylmethanol?
The IUPAC name of 1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-ylmethanol (CID 46707887) is 1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-ylmethanol.
What is the SMILES notation for 1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-ylmethanol?
The canonical SMILES for 1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-ylmethanol is OCc1nc2cccc3c2n1CCC3.
What is the InChIKey of 1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-ylmethanol?
The InChIKey is SQWICPXTAJTKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c14-7-10-12-9-5-1-3-8-4-2-6-13(10)11(8)9/h1,3,5,14H,2,4,6-7H2.
What are the key properties of 1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-ylmethanol?
1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-ylmethanol has a molecular weight of 188.23 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-ylmethanol is sourced from PubChem (CID 46707887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).