6-(1-imino-2,3-dihydroinden-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

C23H31N5 — CID 170309156

IUPAC6-(1-imino-2,3-dihydroinden-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILES[H]/N=C1\CCc2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)ccc21
InChIInChI=1S/C23H31N5/c1-22(2)13-17(14-23(3,4)27-22)28(5)21-11-10-20(25-26-21)16-6-8-18-15(12-16)7-9-19(18)24/h6,8,10-12,17,24,27H,7,9,13-14H2,1-5H3/b24-19+
InChIKeyZTGVRHVBCUSYGE-LYBHJNIJSA-N
MW377.54 g/mol
LogP4.20
Rot. Bonds3

About 6-(1-imino-2,3-dihydroinden-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

6-(1-imino-2,3-dihydroinden-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (PubChem CID 170309156) has the molecular formula C23H31N5 and a molecular weight of 377.54 g/mol. Its IUPAC name is 6-(1-imino-2,3-dihydroinden-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(1-imino-2,3-dihydroinden-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
PubChem CID170309156
Molecular FormulaC23H31N5
Molecular Weight377.54 g/mol
Exact Mass377.26
IUPAC Name6-(1-imino-2,3-dihydroinden-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILES[H]/N=C1\CCc2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)ccc21
InChIInChI=1S/C23H31N5/c1-22(2)13-17(14-23(3,4)27-22)28(5)21-11-10-20(25-26-21)16-6-8-18-15(12-16)7-9-19(18)24/h6,8,10-12,17,24,27H,7,9,13-14H2,1-5H3/b24-19+
InChIKeyZTGVRHVBCUSYGE-LYBHJNIJSA-N
XLogP4.20
TPSA64.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1-imino-2,3-dihydroinden-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The IUPAC name of 6-(1-imino-2,3-dihydroinden-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (CID 170309156) is 6-(1-imino-2,3-dihydroinden-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.
What is the SMILES notation for 6-(1-imino-2,3-dihydroinden-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The canonical SMILES for 6-(1-imino-2,3-dihydroinden-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is [H]/N=C1\CCc2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)ccc21.
What is the InChIKey of 6-(1-imino-2,3-dihydroinden-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The InChIKey is ZTGVRHVBCUSYGE-LYBHJNIJSA-N. The full InChI is InChI=1S/C23H31N5/c1-22(2)13-17(14-23(3,4)27-22)28(5)21-11-10-20(25-26-21)16-6-8-18-15(12-16)7-9-19(18)24/h6,8,10-12,17,24,27H,7,9,13-14H2,1-5H3/b24-19+.
What are the key properties of 6-(1-imino-2,3-dihydroinden-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
6-(1-imino-2,3-dihydroinden-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine has a molecular weight of 377.54 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-imino-2,3-dihydroinden-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is sourced from PubChem (CID 170309156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).