5,7,9,11,13-pentamethyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene

C14H16N4O — CID 20720121

IUPAC5,7,9,11,13-pentamethyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene
SMILESCc1nc(C)c2c(n1)Oc1nc(C)nc(C)c1C2C
InChIInChI=1S/C14H16N4O/c1-6-11-7(2)15-9(4)17-13(11)19-14-12(6)8(3)16-10(5)18-14/h6H,1-5H3
InChIKeyYQGQWUOUMHEWLR-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.76
Rot. Bonds

About 5,7,9,11,13-pentamethyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene

5,7,9,11,13-pentamethyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene (PubChem CID 20720121) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 5,7,9,11,13-pentamethyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene.

Molecular Properties

Compound Name5,7,9,11,13-pentamethyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene
PubChem CID20720121
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name5,7,9,11,13-pentamethyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene
SMILESCc1nc(C)c2c(n1)Oc1nc(C)nc(C)c1C2C
InChIInChI=1S/C14H16N4O/c1-6-11-7(2)15-9(4)17-13(11)19-14-12(6)8(3)16-10(5)18-14/h6H,1-5H3
InChIKeyYQGQWUOUMHEWLR-UHFFFAOYSA-N
XLogP2.76
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,7,9,11,13-pentamethyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5,7,9,11,13-pentamethyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene?
The IUPAC name of 5,7,9,11,13-pentamethyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene (CID 20720121) is 5,7,9,11,13-pentamethyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene.
What is the SMILES notation for 5,7,9,11,13-pentamethyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene?
The canonical SMILES for 5,7,9,11,13-pentamethyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene is Cc1nc(C)c2c(n1)Oc1nc(C)nc(C)c1C2C.
What is the InChIKey of 5,7,9,11,13-pentamethyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene?
The InChIKey is YQGQWUOUMHEWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-6-11-7(2)15-9(4)17-13(11)19-14-12(6)8(3)16-10(5)18-14/h6H,1-5H3.
What are the key properties of 5,7,9,11,13-pentamethyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene?
5,7,9,11,13-pentamethyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene has a molecular weight of 256.31 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,9,11,13-pentamethyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene is sourced from PubChem (CID 20720121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).