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

C17H27N3O2 — CID 126928028

IUPAC6-tert-butyl-2-[[1-[(1-hydroxycyclobutyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CN(CC3(O)CCC3)C2)n1
InChIInChI=1S/C17H27N3O2/c1-16(2,3)14-5-6-15(21)20(18-14)11-13-9-19(10-13)12-17(22)7-4-8-17/h5-6,13,22H,4,7-12H2,1-3H3
InChIKeyOFGBYQIIUGXRDJ-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.39
Rot. Bonds4

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

6-tert-butyl-2-[[1-[(1-hydroxycyclobutyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126928028) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 6-tert-butyl-2-[[1-[(1-hydroxycyclobutyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[[1-[(1-hydroxycyclobutyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126928028
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name6-tert-butyl-2-[[1-[(1-hydroxycyclobutyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CN(CC3(O)CCC3)C2)n1
InChIInChI=1S/C17H27N3O2/c1-16(2,3)14-5-6-15(21)20(18-14)11-13-9-19(10-13)12-17(22)7-4-8-17/h5-6,13,22H,4,7-12H2,1-3H3
InChIKeyOFGBYQIIUGXRDJ-UHFFFAOYSA-N
XLogP1.39
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-tert-butyl-2-[[1-[(1-hydroxycyclobutyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

2-[[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one
CID 126928025
6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927754
6-tert-butyl-2-[[1-[(1-hydroxycyclopentyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126924175
6-tert-butyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927752
6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one
CID 126857323
6-tert-butyl-2-[[1-(2-hydroxycyclohexyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126928030
6-tert-butyl-2-[[1-(cyclobutanecarbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927631
6-tert-butyl-2-[[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126928040
6-tert-butyl-2-[[1-[(1-methyl-2-oxopyrimidin-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927852
6-tert-butyl-2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927932
6-tert-butyl-2-[2-[4-[(3-hydroxyoxan-3-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126914281
3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]-N-cyclopentylazetidine-1-carboxamide
CID 126927651

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[[1-[(1-hydroxycyclobutyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[[1-[(1-hydroxycyclobutyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one (CID 126928028) is 6-tert-butyl-2-[[1-[(1-hydroxycyclobutyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[[1-[(1-hydroxycyclobutyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[[1-[(1-hydroxycyclobutyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one is CC(C)(C)c1ccc(=O)n(CC2CN(CC3(O)CCC3)C2)n1.
What is the InChIKey of 6-tert-butyl-2-[[1-[(1-hydroxycyclobutyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is OFGBYQIIUGXRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-16(2,3)14-5-6-15(21)20(18-14)11-13-9-19(10-13)12-17(22)7-4-8-17/h5-6,13,22H,4,7-12H2,1-3H3.
What are the key properties of 6-tert-butyl-2-[[1-[(1-hydroxycyclobutyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
6-tert-butyl-2-[[1-[(1-hydroxycyclobutyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 305.42 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[[1-[(1-hydroxycyclobutyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126928028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).