4-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-11-yl)phenol

C14H16N4O — CID 136839574

IUPAC4-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-11-yl)phenol
SMILESOc1ccc(-c2nc3n(n2)C2CCCC2CN3)cc1
InChIInChI=1S/C14H16N4O/c19-11-6-4-9(5-7-11)13-16-14-15-8-10-2-1-3-12(10)18(14)17-13/h4-7,10,12,19H,1-3,8H2,(H,15,16,17)
InChIKeyJVQGYSVUIOTBPH-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.42
Rot. Bonds1

About 4-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-11-yl)phenol

4-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-11-yl)phenol (PubChem CID 136839574) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-11-yl)phenol.

Molecular Properties

Compound Name4-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-11-yl)phenol
PubChem CID136839574
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-11-yl)phenol
SMILESOc1ccc(-c2nc3n(n2)C2CCCC2CN3)cc1
InChIInChI=1S/C14H16N4O/c19-11-6-4-9(5-7-11)13-16-14-15-8-10-2-1-3-12(10)18(14)17-13/h4-7,10,12,19H,1-3,8H2,(H,15,16,17)
InChIKeyJVQGYSVUIOTBPH-UHFFFAOYSA-N
XLogP2.42
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-11-yl)phenol 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 4-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-11-yl)phenol?
The IUPAC name of 4-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-11-yl)phenol (CID 136839574) is 4-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-11-yl)phenol.
What is the SMILES notation for 4-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-11-yl)phenol?
The canonical SMILES for 4-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-11-yl)phenol is Oc1ccc(-c2nc3n(n2)C2CCCC2CN3)cc1.
What is the InChIKey of 4-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-11-yl)phenol?
The InChIKey is JVQGYSVUIOTBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-11-6-4-9(5-7-11)13-16-14-15-8-10-2-1-3-12(10)18(14)17-13/h4-7,10,12,19H,1-3,8H2,(H,15,16,17).
What are the key properties of 4-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-11-yl)phenol?
4-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-11-yl)phenol has a molecular weight of 256.31 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-11-yl)phenol is sourced from PubChem (CID 136839574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).