3,4,5,7-tetramethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene

C18H19N3O — CID 2979291

IUPAC3,4,5,7-tetramethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
SMILESCc1ccc(-c2cc3c4c(C)n(C)c(C)c4c(C)nn3c2)o1
InChIInChI=1S/C18H19N3O/c1-10-6-7-16(22-10)14-8-15-18-13(4)20(5)12(3)17(18)11(2)19-21(15)9-14/h6-9H,1-5H3
InChIKeyRTARKZDBXGPOQU-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.32
Rot. Bonds1

About 3,4,5,7-tetramethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene

3,4,5,7-tetramethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene (PubChem CID 2979291) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 3,4,5,7-tetramethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene.

Molecular Properties

Compound Name3,4,5,7-tetramethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
PubChem CID2979291
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name3,4,5,7-tetramethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
SMILESCc1ccc(-c2cc3c4c(C)n(C)c(C)c4c(C)nn3c2)o1
InChIInChI=1S/C18H19N3O/c1-10-6-7-16(22-10)14-8-15-18-13(4)20(5)12(3)17(18)11(2)19-21(15)9-14/h6-9H,1-5H3
InChIKeyRTARKZDBXGPOQU-UHFFFAOYSA-N
XLogP4.32
TPSA35.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4,5,7-tetramethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,7-tetramethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
The IUPAC name of 3,4,5,7-tetramethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene (CID 2979291) is 3,4,5,7-tetramethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene.
What is the SMILES notation for 3,4,5,7-tetramethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
The canonical SMILES for 3,4,5,7-tetramethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene is Cc1ccc(-c2cc3c4c(C)n(C)c(C)c4c(C)nn3c2)o1.
What is the InChIKey of 3,4,5,7-tetramethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
The InChIKey is RTARKZDBXGPOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-10-6-7-16(22-10)14-8-15-18-13(4)20(5)12(3)17(18)11(2)19-21(15)9-14/h6-9H,1-5H3.
What are the key properties of 3,4,5,7-tetramethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
3,4,5,7-tetramethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene has a molecular weight of 293.37 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,7-tetramethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene is sourced from PubChem (CID 2979291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).