1,2,3,4-Tetramethyl-8-(5-methyl-2-furyl)-2H-dipyrrolo[1,2-B:3,4-D]pyridazine

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
SMILESCC1=CC=C(O1)C2=CN3C(=C2)C4=C(N(C(=C4C(=N3)C)C)C)C
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
MW293.40 g/mol
LogP3.40
Rot. Bonds1

About 1,2,3,4-Tetramethyl-8-(5-methyl-2-furyl)-2H-dipyrrolo[1,2-B:3,4-D]pyridazine

1,2,3,4-Tetramethyl-8-(5-methyl-2-furyl)-2H-dipyrrolo[1,2-B:3,4-D]pyridazine (PubChem CID 2979291) has the molecular formula C18H19N3O and a molecular weight of 293.40 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 Name1,2,3,4-Tetramethyl-8-(5-methyl-2-furyl)-2H-dipyrrolo[1,2-B:3,4-D]pyridazine
PubChem CID2979291
Molecular FormulaC18H19N3O
Molecular Weight293.40 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
SMILESCC1=CC=C(O1)C2=CN3C(=C2)C4=C(N(C(=C4C(=N3)C)C)C)C
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
XLogP3.40
TPSA35.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity431

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-Tetramethyl-8-(5-methyl-2-furyl)-2H-dipyrrolo[1,2-B:3,4-D]pyridazine?
The IUPAC name of 1,2,3,4-Tetramethyl-8-(5-methyl-2-furyl)-2H-dipyrrolo[1,2-B:3,4-D]pyridazine (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 1,2,3,4-Tetramethyl-8-(5-methyl-2-furyl)-2H-dipyrrolo[1,2-B:3,4-D]pyridazine?
The canonical SMILES for 1,2,3,4-Tetramethyl-8-(5-methyl-2-furyl)-2H-dipyrrolo[1,2-B:3,4-D]pyridazine is CC1=CC=C(O1)C2=CN3C(=C2)C4=C(N(C(=C4C(=N3)C)C)C)C.
What is the InChIKey of 1,2,3,4-Tetramethyl-8-(5-methyl-2-furyl)-2H-dipyrrolo[1,2-B:3,4-D]pyridazine?
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 1,2,3,4-Tetramethyl-8-(5-methyl-2-furyl)-2H-dipyrrolo[1,2-B:3,4-D]pyridazine?
1,2,3,4-Tetramethyl-8-(5-methyl-2-furyl)-2H-dipyrrolo[1,2-B:3,4-D]pyridazine has a molecular weight of 293.40 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-Tetramethyl-8-(5-methyl-2-furyl)-2H-dipyrrolo[1,2-B:3,4-D]pyridazine is sourced from PubChem (CID 2979291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).