2-[(5-amino-2-methoxyphenyl)methyl]-5-(dimethylamino)pyridazin-3-one

C14H18N4O2 — CID 114393496

IUPAC2-[(5-amino-2-methoxyphenyl)methyl]-5-(dimethylamino)pyridazin-3-one
SMILESCOc1ccc(N)cc1Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C14H18N4O2/c1-17(2)12-7-14(19)18(16-8-12)9-10-6-11(15)4-5-13(10)20-3/h4-8H,9,15H2,1-3H3
InChIKeyIIRXDARPONWCFE-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.95
Rot. Bonds4

About 2-[(5-amino-2-methoxyphenyl)methyl]-5-(dimethylamino)pyridazin-3-one

2-[(5-amino-2-methoxyphenyl)methyl]-5-(dimethylamino)pyridazin-3-one (PubChem CID 114393496) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[(5-amino-2-methoxyphenyl)methyl]-5-(dimethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(5-amino-2-methoxyphenyl)methyl]-5-(dimethylamino)pyridazin-3-one
PubChem CID114393496
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[(5-amino-2-methoxyphenyl)methyl]-5-(dimethylamino)pyridazin-3-one
SMILESCOc1ccc(N)cc1Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C14H18N4O2/c1-17(2)12-7-14(19)18(16-8-12)9-10-6-11(15)4-5-13(10)20-3/h4-8H,9,15H2,1-3H3
InChIKeyIIRXDARPONWCFE-UHFFFAOYSA-N
XLogP0.95
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-amino-2-bromophenyl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114393483
5-amino-2-[(2-methoxy-5-methylphenyl)methyl]pyridazin-3-one
CID 103218397
4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-2-methoxybenzonitrile
CID 106788475
3-amino-4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]benzamide
CID 114393488
2-[(4-amino-2-chlorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114393589
5-(dimethylamino)-2-[(3-methyl-4-pyridinyl)methyl]pyridazin-3-one
CID 29088974
2-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one
CID 106548362
2-[3-(4-aminophenoxy)propyl]-5-(dimethylamino)pyridazin-3-one
CID 114393508
2-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(dimethylamino)pyridazin-3-one
CID 114393487
5-(dimethylamino)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridazin-3-one
CID 72857210
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide
CID 97277107
1-[(5-amino-2-methoxyphenyl)methyl]azepane-2,7-dione
CID 43447450

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-methoxyphenyl)methyl]-5-(dimethylamino)pyridazin-3-one?
The IUPAC name of 2-[(5-amino-2-methoxyphenyl)methyl]-5-(dimethylamino)pyridazin-3-one (CID 114393496) is 2-[(5-amino-2-methoxyphenyl)methyl]-5-(dimethylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(5-amino-2-methoxyphenyl)methyl]-5-(dimethylamino)pyridazin-3-one?
The canonical SMILES for 2-[(5-amino-2-methoxyphenyl)methyl]-5-(dimethylamino)pyridazin-3-one is COc1ccc(N)cc1Cn1ncc(N(C)C)cc1=O.
What is the InChIKey of 2-[(5-amino-2-methoxyphenyl)methyl]-5-(dimethylamino)pyridazin-3-one?
The InChIKey is IIRXDARPONWCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-17(2)12-7-14(19)18(16-8-12)9-10-6-11(15)4-5-13(10)20-3/h4-8H,9,15H2,1-3H3.
What are the key properties of 2-[(5-amino-2-methoxyphenyl)methyl]-5-(dimethylamino)pyridazin-3-one?
2-[(5-amino-2-methoxyphenyl)methyl]-5-(dimethylamino)pyridazin-3-one has a molecular weight of 274.32 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-methoxyphenyl)methyl]-5-(dimethylamino)pyridazin-3-one is sourced from PubChem (CID 114393496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).