4-oxa-1,7,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene

C7H10N4O — CID 144713674

IUPAC4-oxa-1,7,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
SMILESc1nnc2n1C1COCC1NC2
InChIInChI=1S/C7H10N4O/c1-7-10-9-4-11(7)6-3-12-2-5(6)8-1/h4-6,8H,1-3H2
InChIKeyUESCGVOJWVZIKO-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.68
Rot. Bonds

About 4-oxa-1,7,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene

4-oxa-1,7,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene (PubChem CID 144713674) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 4-oxa-1,7,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene.

Molecular Properties

Compound Name4-oxa-1,7,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
PubChem CID144713674
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name4-oxa-1,7,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
SMILESc1nnc2n1C1COCC1NC2
InChIInChI=1S/C7H10N4O/c1-7-10-9-4-11(7)6-3-12-2-5(6)8-1/h4-6,8H,1-3H2
InChIKeyUESCGVOJWVZIKO-UHFFFAOYSA-N
XLogP-0.68
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-oxa-1,7,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene 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-oxa-1,7,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene?
The IUPAC name of 4-oxa-1,7,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene (CID 144713674) is 4-oxa-1,7,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene.
What is the SMILES notation for 4-oxa-1,7,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene?
The canonical SMILES for 4-oxa-1,7,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene is c1nnc2n1C1COCC1NC2.
What is the InChIKey of 4-oxa-1,7,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene?
The InChIKey is UESCGVOJWVZIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-7-10-9-4-11(7)6-3-12-2-5(6)8-1/h4-6,8H,1-3H2.
What are the key properties of 4-oxa-1,7,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene?
4-oxa-1,7,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene has a molecular weight of 166.18 g/mol, XLogP of -0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxa-1,7,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene is sourced from PubChem (CID 144713674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).