6-(3,4-dimethylphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine

C18H21N3 — CID 804001

IUPAC6-(3,4-dimethylphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
SMILESCc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)cc1C
InChIInChI=1S/C18H21N3/c1-10-7-8-16(9-11(10)2)21-14(5)17-12(3)19-20-13(4)18(17)15(21)6/h7-9H,1-6H3
InChIKeyJVDMFNQDRKCPDC-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.27
Rot. Bonds1

About 6-(3,4-dimethylphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine

6-(3,4-dimethylphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine (PubChem CID 804001) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
PubChem CID804001
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name6-(3,4-dimethylphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
SMILESCc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)cc1C
InChIInChI=1S/C18H21N3/c1-10-7-8-16(9-11(10)2)21-14(5)17-12(3)19-20-13(4)18(17)15(21)6/h7-9H,1-6H3
InChIKeyJVDMFNQDRKCPDC-UHFFFAOYSA-N
XLogP4.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The IUPAC name of 6-(3,4-dimethylphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine (CID 804001) is 6-(3,4-dimethylphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 6-(3,4-dimethylphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The canonical SMILES for 6-(3,4-dimethylphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine is Cc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)cc1C.
What is the InChIKey of 6-(3,4-dimethylphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
The InChIKey is JVDMFNQDRKCPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-10-7-8-16(9-11(10)2)21-14(5)17-12(3)19-20-13(4)18(17)15(21)6/h7-9H,1-6H3.
What are the key properties of 6-(3,4-dimethylphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine?
6-(3,4-dimethylphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine has a molecular weight of 279.39 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 804001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).