2-(2,4,6-trimethylphenyl)-9-oxa-2,4,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene

C19H17N3O — CID 59572229

IUPAC2-(2,4,6-trimethylphenyl)-9-oxa-2,4,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
SMILESCc1cc(C)c(N2c3ccncc3Oc3cccnc32)c(C)c1
InChIInChI=1S/C19H17N3O/c1-12-9-13(2)18(14(3)10-12)22-15-6-8-20-11-17(15)23-16-5-4-7-21-19(16)22/h4-11H,1-3H3
InChIKeyPBTRVZLZCPYQGN-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.98
Rot. Bonds1

About 2-(2,4,6-trimethylphenyl)-9-oxa-2,4,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene

2-(2,4,6-trimethylphenyl)-9-oxa-2,4,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene (PubChem CID 59572229) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenyl)-9-oxa-2,4,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenyl)-9-oxa-2,4,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
PubChem CID59572229
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-(2,4,6-trimethylphenyl)-9-oxa-2,4,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
SMILESCc1cc(C)c(N2c3ccncc3Oc3cccnc32)c(C)c1
InChIInChI=1S/C19H17N3O/c1-12-9-13(2)18(14(3)10-12)22-15-6-8-20-11-17(15)23-16-5-4-7-21-19(16)22/h4-11H,1-3H3
InChIKeyPBTRVZLZCPYQGN-UHFFFAOYSA-N
XLogP4.98
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,4,6-trimethylphenyl)-9-oxa-2,4,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenyl)-9-oxa-2,4,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The IUPAC name of 2-(2,4,6-trimethylphenyl)-9-oxa-2,4,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene (CID 59572229) is 2-(2,4,6-trimethylphenyl)-9-oxa-2,4,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene.
What is the SMILES notation for 2-(2,4,6-trimethylphenyl)-9-oxa-2,4,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The canonical SMILES for 2-(2,4,6-trimethylphenyl)-9-oxa-2,4,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene is Cc1cc(C)c(N2c3ccncc3Oc3cccnc32)c(C)c1.
What is the InChIKey of 2-(2,4,6-trimethylphenyl)-9-oxa-2,4,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The InChIKey is PBTRVZLZCPYQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-12-9-13(2)18(14(3)10-12)22-15-6-8-20-11-17(15)23-16-5-4-7-21-19(16)22/h4-11H,1-3H3.
What are the key properties of 2-(2,4,6-trimethylphenyl)-9-oxa-2,4,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
2-(2,4,6-trimethylphenyl)-9-oxa-2,4,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene has a molecular weight of 303.37 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenyl)-9-oxa-2,4,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene is sourced from PubChem (CID 59572229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).