5-[(2-methoxyethylamino)methyl]-3-phenyl-1H-pyridazin-6-one

C14H17N3O2 — CID 82445389

IUPAC5-[(2-methoxyethylamino)methyl]-3-phenyl-1H-pyridazin-6-one
SMILESCOCCNCc1cc(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C14H17N3O2/c1-19-8-7-15-10-12-9-13(16-17-14(12)18)11-5-3-2-4-6-11/h2-6,9,15H,7-8,10H2,1H3,(H,17,18)
InChIKeyCCRSLPYRMRNXTR-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.17
Rot. Bonds6

About 5-[(2-methoxyethylamino)methyl]-3-phenyl-1H-pyridazin-6-one

5-[(2-methoxyethylamino)methyl]-3-phenyl-1H-pyridazin-6-one (PubChem CID 82445389) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-3-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-3-phenyl-1H-pyridazin-6-one
PubChem CID82445389
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-[(2-methoxyethylamino)methyl]-3-phenyl-1H-pyridazin-6-one
SMILESCOCCNCc1cc(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C14H17N3O2/c1-19-8-7-15-10-12-9-13(16-17-14(12)18)11-5-3-2-4-6-11/h2-6,9,15H,7-8,10H2,1H3,(H,17,18)
InChIKeyCCRSLPYRMRNXTR-UHFFFAOYSA-N
XLogP1.17
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1H-pyridazin-6-one
CID 82445686
3-phenyl-5-(propylaminomethyl)-1H-pyridazin-6-one
CID 82445383
3-(4-ethylphenyl)-5-(propylaminomethyl)-1H-pyridazin-6-one
CID 82445478
5-(butylaminomethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one
CID 82445436
5-[(cyclopropylamino)methyl]-3-phenyl-1H-pyridazin-6-one
CID 82445384
5-(aminomethyl)-3-phenyl-1H-pyridazin-6-one
CID 82445397
3-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1H-pyridazin-6-one
CID 82446251
5-(ethylaminomethyl)-3-(4-propan-2-ylphenyl)-1H-pyridazin-6-one
CID 82445513
3-[(2-methoxyethylamino)methyl]-6-(4-methylphenyl)-1H-pyridin-2-one
CID 82520963
3-(4-methoxyphenyl)-5-[(propan-2-ylamino)methyl]-1H-pyridazin-6-one
CID 82446062
1-[4-[4-[(2-methoxyethylamino)methyl]quinolin-2-yl]phenyl]propan-2-one
CID 159208379
5-(propylaminomethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridazin-6-one
CID 82445656

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyethylamino)methyl]-3-phenyl-1H-pyridazin-6-one?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-3-phenyl-1H-pyridazin-6-one (CID 82445389) is 5-[(2-methoxyethylamino)methyl]-3-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-3-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-3-phenyl-1H-pyridazin-6-one is COCCNCc1cc(-c2ccccc2)n[nH]c1=O.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-3-phenyl-1H-pyridazin-6-one?
The InChIKey is CCRSLPYRMRNXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-19-8-7-15-10-12-9-13(16-17-14(12)18)11-5-3-2-4-6-11/h2-6,9,15H,7-8,10H2,1H3,(H,17,18).
What are the key properties of 5-[(2-methoxyethylamino)methyl]-3-phenyl-1H-pyridazin-6-one?
5-[(2-methoxyethylamino)methyl]-3-phenyl-1H-pyridazin-6-one has a molecular weight of 259.31 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyethylamino)methyl]-3-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 82445389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).