2-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline

C16H18N4 — CID 787583

IUPAC2-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline
SMILESCc1nnc(C)c2c(C)n(-c3ccccc3N)c(C)c12
InChIInChI=1S/C16H18N4/c1-9-15-11(3)20(14-8-6-5-7-13(14)17)12(4)16(15)10(2)19-18-9/h5-8H,17H2,1-4H3
InChIKeyAYTUMDQLEWFJFP-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.24
Rot. Bonds1

About 2-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline

2-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline (PubChem CID 787583) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline.

Molecular Properties

Compound Name2-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline
PubChem CID787583
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name2-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline
SMILESCc1nnc(C)c2c(C)n(-c3ccccc3N)c(C)c12
InChIInChI=1S/C16H18N4/c1-9-15-11(3)20(14-8-6-5-7-13(14)17)12(4)16(15)10(2)19-18-9/h5-8H,17H2,1-4H3
InChIKeyAYTUMDQLEWFJFP-UHFFFAOYSA-N
XLogP3.24
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1,4,5,7-tetramethyl-6-phenyl-6H-pyrrolo[3,4-d]pyridazine
CID 4874234
1,4,5,7-Tetramethyl-6-(4-methylphenyl)pyrrolo[3,4-d]pyridazine
CID 921199
2-methyl-5-(1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-yl)aniline
CID 706754
6-(3,4-dimethylphenyl)-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine
CID 804001
6-(4-bromophenyl)-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine
CID 804479
2-chloro-5-(1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-yl)aniline
CID 4874235
6-Benzyl-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine
CID 659734
6-(3,5-dimethylphenyl)-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine
CID 946260
(2,5-Dimethyl-3-phenyl-2H-pyrazolo[4,3-b]pyridin-7-yl)-dipropyl-amine
CID 44341455
4-(1,4,5,7-Tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline
CID 674153
1,4,5,7-Tetramethyl-6-(1-phenylethyl)pyrrolo[3,4-d]pyridazine
CID 644673
2-Methyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline
CID 940327

Frequently Asked Questions

What is the IUPAC name of 2-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline?
The IUPAC name of 2-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline (CID 787583) is 2-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline.
What is the SMILES notation for 2-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline?
The canonical SMILES for 2-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline is Cc1nnc(C)c2c(C)n(-c3ccccc3N)c(C)c12.
What is the InChIKey of 2-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline?
The InChIKey is AYTUMDQLEWFJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-9-15-11(3)20(14-8-6-5-7-13(14)17)12(4)16(15)10(2)19-18-9/h5-8H,17H2,1-4H3.
What are the key properties of 2-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline?
2-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline has a molecular weight of 266.35 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline is sourced from PubChem (CID 787583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).