6-methyl-2-[[1-[(5-methyl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one

C14H18N4O2 — CID 126927096

IUPAC6-methyl-2-[[1-[(5-methyl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC2CN(Cc3ncc(C)o3)C2)n1
InChIInChI=1S/C14H18N4O2/c1-10-3-4-14(19)18(16-10)8-12-6-17(7-12)9-13-15-5-11(2)20-13/h3-5,12H,6-9H2,1-2H3
InChIKeyRMFLKQQLHKGFGC-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.98
Rot. Bonds4

About 6-methyl-2-[[1-[(5-methyl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one

6-methyl-2-[[1-[(5-methyl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126927096) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-methyl-2-[[1-[(5-methyl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[[1-[(5-methyl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126927096
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name6-methyl-2-[[1-[(5-methyl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC2CN(Cc3ncc(C)o3)C2)n1
InChIInChI=1S/C14H18N4O2/c1-10-3-4-14(19)18(16-10)8-12-6-17(7-12)9-13-15-5-11(2)20-13/h3-5,12H,6-9H2,1-2H3
InChIKeyRMFLKQQLHKGFGC-UHFFFAOYSA-N
XLogP0.98
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[1-[(5-methyl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[[1-[(5-methyl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one (CID 126927096) is 6-methyl-2-[[1-[(5-methyl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[[1-[(5-methyl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[[1-[(5-methyl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one is Cc1ccc(=O)n(CC2CN(Cc3ncc(C)o3)C2)n1.
What is the InChIKey of 6-methyl-2-[[1-[(5-methyl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is RMFLKQQLHKGFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-3-4-14(19)18(16-10)8-12-6-17(7-12)9-13-15-5-11(2)20-13/h3-5,12H,6-9H2,1-2H3.
What are the key properties of 6-methyl-2-[[1-[(5-methyl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one?
6-methyl-2-[[1-[(5-methyl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 274.32 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[1-[(5-methyl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126927096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).