6-tert-butyl-2-[(1-cyclohexylazetidin-3-yl)methyl]pyridazin-3-one

C18H29N3O — CID 126927751

IUPAC6-tert-butyl-2-[(1-cyclohexylazetidin-3-yl)methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CN(C3CCCCC3)C2)n1
InChIInChI=1S/C18H29N3O/c1-18(2,3)16-9-10-17(22)21(19-16)13-14-11-20(12-14)15-7-5-4-6-8-15/h9-10,14-15H,4-8,11-13H2,1-3H3
InChIKeyDSKMFGJNSCCOLD-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.81
Rot. Bonds3

About 6-tert-butyl-2-[(1-cyclohexylazetidin-3-yl)methyl]pyridazin-3-one

6-tert-butyl-2-[(1-cyclohexylazetidin-3-yl)methyl]pyridazin-3-one (PubChem CID 126927751) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 6-tert-butyl-2-[(1-cyclohexylazetidin-3-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[(1-cyclohexylazetidin-3-yl)methyl]pyridazin-3-one
PubChem CID126927751
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name6-tert-butyl-2-[(1-cyclohexylazetidin-3-yl)methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CN(C3CCCCC3)C2)n1
InChIInChI=1S/C18H29N3O/c1-18(2,3)16-9-10-17(22)21(19-16)13-14-11-20(12-14)15-7-5-4-6-8-15/h9-10,14-15H,4-8,11-13H2,1-3H3
InChIKeyDSKMFGJNSCCOLD-UHFFFAOYSA-N
XLogP2.81
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[(1-cyclohexylazetidin-3-yl)methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[(1-cyclohexylazetidin-3-yl)methyl]pyridazin-3-one (CID 126927751) is 6-tert-butyl-2-[(1-cyclohexylazetidin-3-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[(1-cyclohexylazetidin-3-yl)methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[(1-cyclohexylazetidin-3-yl)methyl]pyridazin-3-one is CC(C)(C)c1ccc(=O)n(CC2CN(C3CCCCC3)C2)n1.
What is the InChIKey of 6-tert-butyl-2-[(1-cyclohexylazetidin-3-yl)methyl]pyridazin-3-one?
The InChIKey is DSKMFGJNSCCOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-18(2,3)16-9-10-17(22)21(19-16)13-14-11-20(12-14)15-7-5-4-6-8-15/h9-10,14-15H,4-8,11-13H2,1-3H3.
What are the key properties of 6-tert-butyl-2-[(1-cyclohexylazetidin-3-yl)methyl]pyridazin-3-one?
6-tert-butyl-2-[(1-cyclohexylazetidin-3-yl)methyl]pyridazin-3-one has a molecular weight of 303.45 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[(1-cyclohexylazetidin-3-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 126927751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).