2,3,4,7-tetramethyl-1-propan-2-ylpyrrolo[2,3-d]pyridazine

C13H19N3 — CID 70847132

IUPAC2,3,4,7-tetramethyl-1-propan-2-ylpyrrolo[2,3-d]pyridazine
SMILESCc1nnc(C)c2c1c(C)c(C)n2C(C)C
InChIInChI=1S/C13H19N3/c1-7(2)16-11(6)8(3)12-9(4)14-15-10(5)13(12)16/h7H,1-6H3
InChIKeyRFMAZKNLZHUVMH-UHFFFAOYSA-N
MW217.32 g/mol
LogP3.25
Rot. Bonds1

About 2,3,4,7-tetramethyl-1-propan-2-ylpyrrolo[2,3-d]pyridazine

2,3,4,7-tetramethyl-1-propan-2-ylpyrrolo[2,3-d]pyridazine (PubChem CID 70847132) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2,3,4,7-tetramethyl-1-propan-2-ylpyrrolo[2,3-d]pyridazine.

Molecular Properties

Compound Name2,3,4,7-tetramethyl-1-propan-2-ylpyrrolo[2,3-d]pyridazine
PubChem CID70847132
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2,3,4,7-tetramethyl-1-propan-2-ylpyrrolo[2,3-d]pyridazine
SMILESCc1nnc(C)c2c1c(C)c(C)n2C(C)C
InChIInChI=1S/C13H19N3/c1-7(2)16-11(6)8(3)12-9(4)14-15-10(5)13(12)16/h7H,1-6H3
InChIKeyRFMAZKNLZHUVMH-UHFFFAOYSA-N
XLogP3.25
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,7-tetramethyl-1-propan-2-ylpyrrolo[2,3-d]pyridazine?
The IUPAC name of 2,3,4,7-tetramethyl-1-propan-2-ylpyrrolo[2,3-d]pyridazine (CID 70847132) is 2,3,4,7-tetramethyl-1-propan-2-ylpyrrolo[2,3-d]pyridazine.
What is the SMILES notation for 2,3,4,7-tetramethyl-1-propan-2-ylpyrrolo[2,3-d]pyridazine?
The canonical SMILES for 2,3,4,7-tetramethyl-1-propan-2-ylpyrrolo[2,3-d]pyridazine is Cc1nnc(C)c2c1c(C)c(C)n2C(C)C.
What is the InChIKey of 2,3,4,7-tetramethyl-1-propan-2-ylpyrrolo[2,3-d]pyridazine?
The InChIKey is RFMAZKNLZHUVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-7(2)16-11(6)8(3)12-9(4)14-15-10(5)13(12)16/h7H,1-6H3.
What are the key properties of 2,3,4,7-tetramethyl-1-propan-2-ylpyrrolo[2,3-d]pyridazine?
2,3,4,7-tetramethyl-1-propan-2-ylpyrrolo[2,3-d]pyridazine has a molecular weight of 217.32 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,7-tetramethyl-1-propan-2-ylpyrrolo[2,3-d]pyridazine is sourced from PubChem (CID 70847132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).