4-chloro-2-(2-methoxyethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one

C11H14ClN5O3 — CID 114434381

IUPAC4-chloro-2-(2-methoxyethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one
SMILESCOCCn1ncc(NCc2nc(C)no2)c(Cl)c1=O
InChIInChI=1S/C11H14ClN5O3/c1-7-15-9(20-16-7)6-13-8-5-14-17(3-4-19-2)11(18)10(8)12/h5,13H,3-4,6H2,1-2H3
InChIKeyZRCQOQVVXXLZPQ-UHFFFAOYSA-N
MW299.72 g/mol
LogP0.85
Rot. Bonds6

About 4-chloro-2-(2-methoxyethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one

4-chloro-2-(2-methoxyethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one (PubChem CID 114434381) has the molecular formula C11H14ClN5O3 and a molecular weight of 299.72 g/mol. Its IUPAC name is 4-chloro-2-(2-methoxyethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-methoxyethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one
PubChem CID114434381
Molecular FormulaC11H14ClN5O3
Molecular Weight299.72 g/mol
Exact Mass299.08
IUPAC Name4-chloro-2-(2-methoxyethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one
SMILESCOCCn1ncc(NCc2nc(C)no2)c(Cl)c1=O
InChIInChI=1S/C11H14ClN5O3/c1-7-15-9(20-16-7)6-13-8-5-14-17(3-4-19-2)11(18)10(8)12/h5,13H,3-4,6H2,1-2H3
InChIKeyZRCQOQVVXXLZPQ-UHFFFAOYSA-N
XLogP0.85
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-chloro-2-(2-methoxyethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one with MolForge

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Related Compounds

4-chloro-2-(2-methoxyethyl)-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one
CID 103703243
4-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115593128
4-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 114434377
4-chloro-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one
CID 115573801
4-chloro-5-[(2-hydroxy-2-methylpropyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 113234186
4-chloro-2-(2-methoxyethyl)-5-[(4-methyloxan-4-yl)methylamino]pyridazin-3-one
CID 103742961
4-chloro-5-(1H-imidazol-5-ylmethylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 114439562
4-chloro-2-(2-methoxyethyl)-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridazin-3-one
CID 114434254
4-chloro-2-(2-methoxyethyl)-5-(4-methylpentylamino)pyridazin-3-one
CID 115579123
4-chloro-5-[2-(dimethylamino)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115573762
methyl 2-[5-bromo-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-6-oxopyridazin-1-yl]acetate
CID 114434378
4-chloro-5-(3-hydroxybutylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 113236537

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methoxyethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-methoxyethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one (CID 114434381) is 4-chloro-2-(2-methoxyethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-methoxyethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-methoxyethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one is COCCn1ncc(NCc2nc(C)no2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-(2-methoxyethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one?
The InChIKey is ZRCQOQVVXXLZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O3/c1-7-15-9(20-16-7)6-13-8-5-14-17(3-4-19-2)11(18)10(8)12/h5,13H,3-4,6H2,1-2H3.
What are the key properties of 4-chloro-2-(2-methoxyethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one?
4-chloro-2-(2-methoxyethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one has a molecular weight of 299.72 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methoxyethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one is sourced from PubChem (CID 114434381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).