1,9-diazatricyclo[6.3.1.04,12]dodeca-2,6-diene

C10H14N2 — CID 91535320

IUPAC1,9-diazatricyclo[6.3.1.04,12]dodeca-2,6-diene
SMILESC1=CC2NCCN3C=CC(C1)C23
InChIInChI=1S/C10H14N2/c1-2-8-4-6-12-7-5-11-9(3-1)10(8)12/h1,3-4,6,8-11H,2,5,7H2
InChIKeyXVNNLGBVVBBHRN-UHFFFAOYSA-N
MW162.24 g/mol
LogP0.73
Rot. Bonds

About 1,9-diazatricyclo[6.3.1.04,12]dodeca-2,6-diene

1,9-diazatricyclo[6.3.1.04,12]dodeca-2,6-diene (PubChem CID 91535320) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1,9-diazatricyclo[6.3.1.04,12]dodeca-2,6-diene.

Molecular Properties

Compound Name1,9-diazatricyclo[6.3.1.04,12]dodeca-2,6-diene
PubChem CID91535320
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name1,9-diazatricyclo[6.3.1.04,12]dodeca-2,6-diene
SMILESC1=CC2NCCN3C=CC(C1)C23
InChIInChI=1S/C10H14N2/c1-2-8-4-6-12-7-5-11-9(3-1)10(8)12/h1,3-4,6,8-11H,2,5,7H2
InChIKeyXVNNLGBVVBBHRN-UHFFFAOYSA-N
XLogP0.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,9-diazatricyclo[6.3.1.04,12]dodeca-2,6-diene with MolForge

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

Launch Full Analysis

Related Compounds

3a,5,6,7,8,8a,9,9a-octahydro-1H-pyrrolo[2,3-g]isoquinoline
CID 18936246
1,3a,4,5,5a,6,7,9a-Octahydropyrrolo[1,2-a]quinoxaline
CID 20461895
1,2,4a,5,6,7,8,8a-Octahydro-1,7-naphthyridine
CID 53910707
2,3,4,4a,6a,9,9a,9b-octahydro-1H-cyclopenta[f]quinoxaline
CID 54330595
3-(piperazin-1-ylmethyl)-3a,7a-dihydro-1H-indole
CID 58044811
3a,4,5,9,9a,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline
CID 67194798
2,3,4,4a,5,7a-hexahydro-1H-cyclopenta[b]pyridine
CID 67351864
7,11-Diazatricyclo[7.3.1.02,7]trideca-3,5,8-triene
CID 68828942
1,9-dimethyl-3,4,4a,5,6,8-hexahydro-2H-pyrrolo[2,3-i]quinoline
CID 69821613
3,5,6,6a,7,8,10a,10b-Octahydropyrrolo[2,1-a]isoquinolin-9-amine
CID 70206368
(3S)-3,5-dimethyl-1-[(1R)-1-(5-methylcyclohex-3-en-1-yl)ethyl]piperazine
CID 70355896
2,4a,4b,8a,9,9a-hexahydro-1H-pyrido[3,4-b]indole
CID 70416496

Frequently Asked Questions

What is the IUPAC name of 1,9-diazatricyclo[6.3.1.04,12]dodeca-2,6-diene?
The IUPAC name of 1,9-diazatricyclo[6.3.1.04,12]dodeca-2,6-diene (CID 91535320) is 1,9-diazatricyclo[6.3.1.04,12]dodeca-2,6-diene.
What is the SMILES notation for 1,9-diazatricyclo[6.3.1.04,12]dodeca-2,6-diene?
The canonical SMILES for 1,9-diazatricyclo[6.3.1.04,12]dodeca-2,6-diene is C1=CC2NCCN3C=CC(C1)C23.
What is the InChIKey of 1,9-diazatricyclo[6.3.1.04,12]dodeca-2,6-diene?
The InChIKey is XVNNLGBVVBBHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-8-4-6-12-7-5-11-9(3-1)10(8)12/h1,3-4,6,8-11H,2,5,7H2.
What are the key properties of 1,9-diazatricyclo[6.3.1.04,12]dodeca-2,6-diene?
1,9-diazatricyclo[6.3.1.04,12]dodeca-2,6-diene has a molecular weight of 162.24 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-diazatricyclo[6.3.1.04,12]dodeca-2,6-diene is sourced from PubChem (CID 91535320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).