6-(3-methylpentan-3-yl)-N-[(E)-1-thiophen-2-ylpropan-2-ylideneamino]pyridazin-3-amine

C17H24N4S — CID 18608085

IUPAC6-(3-methylpentan-3-yl)-N-[(E)-1-thiophen-2-ylpropan-2-ylideneamino]pyridazin-3-amine
SMILESCCC(C)(CC)c1ccc(N/N=C(\C)Cc2cccs2)nn1
InChIInChI=1S/C17H24N4S/c1-5-17(4,6-2)15-9-10-16(21-19-15)20-18-13(3)12-14-8-7-11-22-14/h7-11H,5-6,12H2,1-4H3,(H,20,21)/b18-13+
InChIKeyWCAQSXBXFYPDDL-QGOAFFKASA-N
MW316.47 g/mol
LogP4.65
Rot. Bonds7

About 6-(3-methylpentan-3-yl)-N-[(E)-1-thiophen-2-ylpropan-2-ylideneamino]pyridazin-3-amine

6-(3-methylpentan-3-yl)-N-[(E)-1-thiophen-2-ylpropan-2-ylideneamino]pyridazin-3-amine (PubChem CID 18608085) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 6-(3-methylpentan-3-yl)-N-[(E)-1-thiophen-2-ylpropan-2-ylideneamino]pyridazin-3-amine.

Molecular Properties

Compound Name6-(3-methylpentan-3-yl)-N-[(E)-1-thiophen-2-ylpropan-2-ylideneamino]pyridazin-3-amine
PubChem CID18608085
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name6-(3-methylpentan-3-yl)-N-[(E)-1-thiophen-2-ylpropan-2-ylideneamino]pyridazin-3-amine
SMILESCCC(C)(CC)c1ccc(N/N=C(\C)Cc2cccs2)nn1
InChIInChI=1S/C17H24N4S/c1-5-17(4,6-2)15-9-10-16(21-19-15)20-18-13(3)12-14-8-7-11-22-14/h7-11H,5-6,12H2,1-4H3,(H,20,21)/b18-13+
InChIKeyWCAQSXBXFYPDDL-QGOAFFKASA-N
XLogP4.65
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpentan-3-yl)-N-[(E)-1-thiophen-2-ylpropan-2-ylideneamino]pyridazin-3-amine?
The IUPAC name of 6-(3-methylpentan-3-yl)-N-[(E)-1-thiophen-2-ylpropan-2-ylideneamino]pyridazin-3-amine (CID 18608085) is 6-(3-methylpentan-3-yl)-N-[(E)-1-thiophen-2-ylpropan-2-ylideneamino]pyridazin-3-amine.
What is the SMILES notation for 6-(3-methylpentan-3-yl)-N-[(E)-1-thiophen-2-ylpropan-2-ylideneamino]pyridazin-3-amine?
The canonical SMILES for 6-(3-methylpentan-3-yl)-N-[(E)-1-thiophen-2-ylpropan-2-ylideneamino]pyridazin-3-amine is CCC(C)(CC)c1ccc(N/N=C(\C)Cc2cccs2)nn1.
What is the InChIKey of 6-(3-methylpentan-3-yl)-N-[(E)-1-thiophen-2-ylpropan-2-ylideneamino]pyridazin-3-amine?
The InChIKey is WCAQSXBXFYPDDL-QGOAFFKASA-N. The full InChI is InChI=1S/C17H24N4S/c1-5-17(4,6-2)15-9-10-16(21-19-15)20-18-13(3)12-14-8-7-11-22-14/h7-11H,5-6,12H2,1-4H3,(H,20,21)/b18-13+.
What are the key properties of 6-(3-methylpentan-3-yl)-N-[(E)-1-thiophen-2-ylpropan-2-ylideneamino]pyridazin-3-amine?
6-(3-methylpentan-3-yl)-N-[(E)-1-thiophen-2-ylpropan-2-ylideneamino]pyridazin-3-amine has a molecular weight of 316.47 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpentan-3-yl)-N-[(E)-1-thiophen-2-ylpropan-2-ylideneamino]pyridazin-3-amine is sourced from PubChem (CID 18608085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).