5-(propylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one

C17H29N3O — CID 53353779

IUPAC5-(propylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one
SMILESCCCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1
InChIInChI=1S/C17H29N3O/c1-6-7-18-13-8-15(21)20(19-11-13)14-9-16(2,3)12-17(4,5)10-14/h8,11,14,18H,6-7,9-10,12H2,1-5H3
InChIKeyFIDJJNCJJRGHEV-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.84
Rot. Bonds4

About 5-(propylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one

5-(propylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one (PubChem CID 53353779) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-(propylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(propylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one
PubChem CID53353779
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name5-(propylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one
SMILESCCCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1
InChIInChI=1S/C17H29N3O/c1-6-7-18-13-8-15(21)20(19-11-13)14-9-16(2,3)12-17(4,5)10-14/h8,11,14,18H,6-7,9-10,12H2,1-5H3
InChIKeyFIDJJNCJJRGHEV-UHFFFAOYSA-N
XLogP3.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(propylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one?
The IUPAC name of 5-(propylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one (CID 53353779) is 5-(propylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one.
What is the SMILES notation for 5-(propylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one?
The canonical SMILES for 5-(propylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one is CCCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1.
What is the InChIKey of 5-(propylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one?
The InChIKey is FIDJJNCJJRGHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-6-7-18-13-8-15(21)20(19-11-13)14-9-16(2,3)12-17(4,5)10-14/h8,11,14,18H,6-7,9-10,12H2,1-5H3.
What are the key properties of 5-(propylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one?
5-(propylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one has a molecular weight of 291.44 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one is sourced from PubChem (CID 53353779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).