3,3,5,5-tetramethyl-4-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7-diene

C12H19N3O — CID 79926960

IUPAC3,3,5,5-tetramethyl-4-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7-diene
SMILESCC1(C)OC(C)(C)c2c1nc1n2CCNC1
InChIInChI=1S/C12H19N3O/c1-11(2)9-10(12(3,4)16-11)15-6-5-13-7-8(15)14-9/h13H,5-7H2,1-4H3
InChIKeyGHRHBTRLJLWHQI-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.49
Rot. Bonds

About 3,3,5,5-tetramethyl-4-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7-diene

3,3,5,5-tetramethyl-4-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7-diene (PubChem CID 79926960) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-4-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7-diene.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-4-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7-diene
PubChem CID79926960
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3,3,5,5-tetramethyl-4-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7-diene
SMILESCC1(C)OC(C)(C)c2c1nc1n2CCNC1
InChIInChI=1S/C12H19N3O/c1-11(2)9-10(12(3,4)16-11)15-6-5-13-7-8(15)14-9/h13H,5-7H2,1-4H3
InChIKeyGHRHBTRLJLWHQI-UHFFFAOYSA-N
XLogP1.49
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-4-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7-diene?
The IUPAC name of 3,3,5,5-tetramethyl-4-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7-diene (CID 79926960) is 3,3,5,5-tetramethyl-4-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7-diene.
What is the SMILES notation for 3,3,5,5-tetramethyl-4-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7-diene?
The canonical SMILES for 3,3,5,5-tetramethyl-4-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7-diene is CC1(C)OC(C)(C)c2c1nc1n2CCNC1.
What is the InChIKey of 3,3,5,5-tetramethyl-4-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7-diene?
The InChIKey is GHRHBTRLJLWHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-11(2)9-10(12(3,4)16-11)15-6-5-13-7-8(15)14-9/h13H,5-7H2,1-4H3.
What are the key properties of 3,3,5,5-tetramethyl-4-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7-diene?
3,3,5,5-tetramethyl-4-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7-diene has a molecular weight of 221.30 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-4-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7-diene is sourced from PubChem (CID 79926960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).