3,5-dimethyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol

C18H21N3O — CID 67563854

IUPAC3,5-dimethyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol
SMILESCc1cc(O)cc(C)c1-n1c(C)c2c(C)nnc(C)c2c1C
InChIInChI=1S/C18H21N3O/c1-9-7-15(22)8-10(2)18(9)21-13(5)16-11(3)19-20-12(4)17(16)14(21)6/h7-8,22H,1-6H3
InChIKeyWLGQCBXEYNXEND-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.98
Rot. Bonds1

About 3,5-dimethyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol

3,5-dimethyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol (PubChem CID 67563854) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3,5-dimethyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol.

Molecular Properties

Compound Name3,5-dimethyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol
PubChem CID67563854
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3,5-dimethyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol
SMILESCc1cc(O)cc(C)c1-n1c(C)c2c(C)nnc(C)c2c1C
InChIInChI=1S/C18H21N3O/c1-9-7-15(22)8-10(2)18(9)21-13(5)16-11(3)19-20-12(4)17(16)14(21)6/h7-8,22H,1-6H3
InChIKeyWLGQCBXEYNXEND-UHFFFAOYSA-N
XLogP3.98
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol?
The IUPAC name of 3,5-dimethyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol (CID 67563854) is 3,5-dimethyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol.
What is the SMILES notation for 3,5-dimethyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol?
The canonical SMILES for 3,5-dimethyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol is Cc1cc(O)cc(C)c1-n1c(C)c2c(C)nnc(C)c2c1C.
What is the InChIKey of 3,5-dimethyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol?
The InChIKey is WLGQCBXEYNXEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-9-7-15(22)8-10(2)18(9)21-13(5)16-11(3)19-20-12(4)17(16)14(21)6/h7-8,22H,1-6H3.
What are the key properties of 3,5-dimethyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol?
3,5-dimethyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol has a molecular weight of 295.39 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol is sourced from PubChem (CID 67563854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).