6-tert-butyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one

C18H30N4O2 — CID 126927752

IUPAC6-tert-butyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CN(CCN3CCOCC3)C2)n1
InChIInChI=1S/C18H30N4O2/c1-18(2,3)16-4-5-17(23)22(19-16)14-15-12-21(13-15)7-6-20-8-10-24-11-9-20/h4-5,15H,6-14H2,1-3H3
InChIKeyXTHJFCFUBPXVTC-UHFFFAOYSA-N
MW334.46 g/mol
LogP0.80
Rot. Bonds5

About 6-tert-butyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one

6-tert-butyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126927752) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 6-tert-butyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126927752
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name6-tert-butyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CN(CCN3CCOCC3)C2)n1
InChIInChI=1S/C18H30N4O2/c1-18(2,3)16-4-5-17(23)22(19-16)14-15-12-21(13-15)7-6-20-8-10-24-11-9-20/h4-5,15H,6-14H2,1-3H3
InChIKeyXTHJFCFUBPXVTC-UHFFFAOYSA-N
XLogP0.80
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-tert-butyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927754
6-tert-butyl-2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927932
6-cyclopropyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927332
6-tert-butyl-2-[[1-(1,4-dioxan-2-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927967
6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one
CID 126857323
6-tert-butyl-2-[[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927984
6-tert-butyl-2-[[1-[(1-hydroxycyclobutyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126928028
6-tert-butyl-2-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927853
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-6-oxopyrimidin-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927851
6-tert-butyl-2-[[1-[(1-methyl-2-oxopyrimidin-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927852
2-[[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one
CID 126928025

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one (CID 126927752) is 6-tert-butyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one is CC(C)(C)c1ccc(=O)n(CC2CN(CCN3CCOCC3)C2)n1.
What is the InChIKey of 6-tert-butyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is XTHJFCFUBPXVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-18(2,3)16-4-5-17(23)22(19-16)14-15-12-21(13-15)7-6-20-8-10-24-11-9-20/h4-5,15H,6-14H2,1-3H3.
What are the key properties of 6-tert-butyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one?
6-tert-butyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 334.46 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126927752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).