3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol

C11H8N2O — CID 43829317

IUPAC3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol
SMILESOC1c2cccnc2-c2ncccc21
InChIInChI=1S/C11H8N2O/c14-11-7-3-1-5-12-9(7)10-8(11)4-2-6-13-10/h1-6,11,14H
InChIKeyROPQSTUQMFQIKS-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.54
Rot. Bonds

About 3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol

3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol (PubChem CID 43829317) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol.

Molecular Properties

Compound Name3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol
PubChem CID43829317
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol
SMILESOC1c2cccnc2-c2ncccc21
InChIInChI=1S/C11H8N2O/c14-11-7-3-1-5-12-9(7)10-8(11)4-2-6-13-10/h1-6,11,14H
InChIKeyROPQSTUQMFQIKS-UHFFFAOYSA-N
XLogP1.54
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol?
The IUPAC name of 3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol (CID 43829317) is 3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol.
What is the SMILES notation for 3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol?
The canonical SMILES for 3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol is OC1c2cccnc2-c2ncccc21.
What is the InChIKey of 3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol?
The InChIKey is ROPQSTUQMFQIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c14-11-7-3-1-5-12-9(7)10-8(11)4-2-6-13-10/h1-6,11,14H.
What are the key properties of 3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol?
3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol has a molecular weight of 184.20 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol is sourced from PubChem (CID 43829317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).