2-[[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one

C19H30N4O3 — CID 126928025

IUPAC2-[[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one
SMILESCC(=O)N1CCC(O)(CN2CC(Cn3nc(C(C)(C)C)ccc3=O)C2)C1
InChIInChI=1S/C19H30N4O3/c1-14(24)22-8-7-19(26,13-22)12-21-9-15(10-21)11-23-17(25)6-5-16(20-23)18(2,3)4/h5-6,15,26H,7-13H2,1-4H3
InChIKeyVHNRMUBBVBIZNR-UHFFFAOYSA-N
MW362.47 g/mol
LogP0.46
Rot. Bonds4

About 2-[[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one

2-[[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one (PubChem CID 126928025) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one
PubChem CID126928025
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name2-[[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one
SMILESCC(=O)N1CCC(O)(CN2CC(Cn3nc(C(C)(C)C)ccc3=O)C2)C1
InChIInChI=1S/C19H30N4O3/c1-14(24)22-8-7-19(26,13-22)12-21-9-15(10-21)11-23-17(25)6-5-16(20-23)18(2,3)4/h5-6,15,26H,7-13H2,1-4H3
InChIKeyVHNRMUBBVBIZNR-UHFFFAOYSA-N
XLogP0.46
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one with MolForge

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Related Compounds

6-tert-butyl-2-[[1-[(1-hydroxycyclobutyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126928028
6-tert-butyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927752
6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927754
2-[[1-[(1-acetyl-3-hydroxyazepan-3-yl)methyl]azetidin-3-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126929207
6-tert-butyl-2-[[1-(cyclobutanecarbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927631
6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one
CID 126857323
6-tert-butyl-2-[[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126928040
3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]-N-cyclopentylazetidine-1-carboxamide
CID 126927651
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-[(1-hydroxycyclopentyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126924175
6-tert-butyl-2-[[1-(2-hydroxycyclohexyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126928030
1-[1-[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945554

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one?
The IUPAC name of 2-[[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one (CID 126928025) is 2-[[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one.
What is the SMILES notation for 2-[[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one?
The canonical SMILES for 2-[[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one is CC(=O)N1CCC(O)(CN2CC(Cn3nc(C(C)(C)C)ccc3=O)C2)C1.
What is the InChIKey of 2-[[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one?
The InChIKey is VHNRMUBBVBIZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-14(24)22-8-7-19(26,13-22)12-21-9-15(10-21)11-23-17(25)6-5-16(20-23)18(2,3)4/h5-6,15,26H,7-13H2,1-4H3.
What are the key properties of 2-[[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one?
2-[[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one has a molecular weight of 362.47 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one is sourced from PubChem (CID 126928025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).