10-oxa-3,4,6,12-tetrazatricyclo[6.3.1.02,6]dodeca-2,4-diene

C7H10N4O — CID 90416710

IUPAC10-oxa-3,4,6,12-tetrazatricyclo[6.3.1.02,6]dodeca-2,4-diene
SMILESc1nnc2n1CC1COCC2N1
InChIInChI=1S/C7H10N4O/c1-5-2-12-3-6(9-5)7-10-8-4-11(1)7/h4-6,9H,1-3H2
InChIKeyHKUAODNLECVHGT-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.68
Rot. Bonds

About 10-oxa-3,4,6,12-tetrazatricyclo[6.3.1.02,6]dodeca-2,4-diene

10-oxa-3,4,6,12-tetrazatricyclo[6.3.1.02,6]dodeca-2,4-diene (PubChem CID 90416710) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 10-oxa-3,4,6,12-tetrazatricyclo[6.3.1.02,6]dodeca-2,4-diene.

Molecular Properties

Compound Name10-oxa-3,4,6,12-tetrazatricyclo[6.3.1.02,6]dodeca-2,4-diene
PubChem CID90416710
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name10-oxa-3,4,6,12-tetrazatricyclo[6.3.1.02,6]dodeca-2,4-diene
SMILESc1nnc2n1CC1COCC2N1
InChIInChI=1S/C7H10N4O/c1-5-2-12-3-6(9-5)7-10-8-4-11(1)7/h4-6,9H,1-3H2
InChIKeyHKUAODNLECVHGT-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 10-oxa-3,4,6,12-tetrazatricyclo[6.3.1.02,6]dodeca-2,4-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 10-oxa-3,4,6,12-tetrazatricyclo[6.3.1.02,6]dodeca-2,4-diene?
The IUPAC name of 10-oxa-3,4,6,12-tetrazatricyclo[6.3.1.02,6]dodeca-2,4-diene (CID 90416710) is 10-oxa-3,4,6,12-tetrazatricyclo[6.3.1.02,6]dodeca-2,4-diene.
What is the SMILES notation for 10-oxa-3,4,6,12-tetrazatricyclo[6.3.1.02,6]dodeca-2,4-diene?
The canonical SMILES for 10-oxa-3,4,6,12-tetrazatricyclo[6.3.1.02,6]dodeca-2,4-diene is c1nnc2n1CC1COCC2N1.
What is the InChIKey of 10-oxa-3,4,6,12-tetrazatricyclo[6.3.1.02,6]dodeca-2,4-diene?
The InChIKey is HKUAODNLECVHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-5-2-12-3-6(9-5)7-10-8-4-11(1)7/h4-6,9H,1-3H2.
What are the key properties of 10-oxa-3,4,6,12-tetrazatricyclo[6.3.1.02,6]dodeca-2,4-diene?
10-oxa-3,4,6,12-tetrazatricyclo[6.3.1.02,6]dodeca-2,4-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 10-oxa-3,4,6,12-tetrazatricyclo[6.3.1.02,6]dodeca-2,4-diene is sourced from PubChem (CID 90416710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).