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

C16H18N4 — CID 674153

IUPAC4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline
SMILESCc1nnc(C)c2c(C)n(-c3ccc(N)cc3)c(C)c12
InChIInChI=1S/C16H18N4/c1-9-15-11(3)20(14-7-5-13(17)6-8-14)12(4)16(15)10(2)19-18-9/h5-8H,17H2,1-4H3
InChIKeyVRPJAFMKAXSZOV-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.24
Rot. Bonds1

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

4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline (PubChem CID 674153) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline.

Molecular Properties

Compound Name4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline
PubChem CID674153
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline
SMILESCc1nnc(C)c2c(C)n(-c3ccc(N)cc3)c(C)c12
InChIInChI=1S/C16H18N4/c1-9-15-11(3)20(14-7-5-13(17)6-8-14)12(4)16(15)10(2)19-18-9/h5-8H,17H2,1-4H3
InChIKeyVRPJAFMKAXSZOV-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline?
The IUPAC name of 4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline (CID 674153) is 4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline.
What is the SMILES notation for 4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline?
The canonical SMILES for 4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline is Cc1nnc(C)c2c(C)n(-c3ccc(N)cc3)c(C)c12.
What is the InChIKey of 4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline?
The InChIKey is VRPJAFMKAXSZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-9-15-11(3)20(14-7-5-13(17)6-8-14)12(4)16(15)10(2)19-18-9/h5-8H,17H2,1-4H3.
What are the key properties of 4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline?
4-(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 4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)aniline is sourced from PubChem (CID 674153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).