1-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-2-hydroxy-2-methylpropan-1-one

C12H16ClN3O3 — CID 171998783

IUPAC1-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)N1CC(COc2cncc(Cl)n2)C1
InChIInChI=1S/C12H16ClN3O3/c1-12(2,18)11(17)16-5-8(6-16)7-19-10-4-14-3-9(13)15-10/h3-4,8,18H,5-7H2,1-2H3
InChIKeyPXUCTUAFZVKCCY-UHFFFAOYSA-N
MW285.73 g/mol
LogP0.74
Rot. Bonds4

About 1-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-2-hydroxy-2-methylpropan-1-one

1-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-2-hydroxy-2-methylpropan-1-one (PubChem CID 171998783) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 1-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-2-hydroxy-2-methylpropan-1-one
PubChem CID171998783
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name1-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)N1CC(COc2cncc(Cl)n2)C1
InChIInChI=1S/C12H16ClN3O3/c1-12(2,18)11(17)16-5-8(6-16)7-19-10-4-14-3-9(13)15-10/h3-4,8,18H,5-7H2,1-2H3
InChIKeyPXUCTUAFZVKCCY-UHFFFAOYSA-N
XLogP0.74
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-2-hydroxy-2-methylpropan-1-one with MolForge

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Related Compounds

1-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-2-methylbutan-1-one
CID 171998971
[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 172882505
[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 172882577
3-[(6-chloropyrazin-2-yl)oxymethyl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide
CID 172905081
4-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]oxolan-3-ol
CID 171999549
[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-(3-nitrophenyl)methanone
CID 172882511
2-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine
CID 172905172
2-chloro-6-[[1-[(5-methylthiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine
CID 172905012
5-[[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 172904957
tert-butyl 3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxymethyl]azetidine-1-carboxylate
CID 146380661
2-chloro-6-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylazetidin-3-yl]methoxy]pyrazine
CID 172893391
2-chloro-6-(pyrrolidin-2-ylmethoxy)pyrazine
CID 116650736

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-2-hydroxy-2-methylpropan-1-one (CID 171998783) is 1-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-2-hydroxy-2-methylpropan-1-one is CC(C)(O)C(=O)N1CC(COc2cncc(Cl)n2)C1.
What is the InChIKey of 1-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-2-hydroxy-2-methylpropan-1-one?
The InChIKey is PXUCTUAFZVKCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c1-12(2,18)11(17)16-5-8(6-16)7-19-10-4-14-3-9(13)15-10/h3-4,8,18H,5-7H2,1-2H3.
What are the key properties of 1-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-2-hydroxy-2-methylpropan-1-one?
1-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-2-hydroxy-2-methylpropan-1-one has a molecular weight of 285.73 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 171998783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).