2-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]-5-methylpyridazin-3-one

C15H19N3O3 — CID 106548597

IUPAC2-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]-5-methylpyridazin-3-one
SMILESCOc1ccc(C(N)Cn2ncc(C)cc2=O)c(OC)c1
InChIInChI=1S/C15H19N3O3/c1-10-6-15(19)18(17-8-10)9-13(16)12-5-4-11(20-2)7-14(12)21-3/h4-8,13H,9,16H2,1-3H3
InChIKeyYFUFABGCCQETAT-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.27
Rot. Bonds5

About 2-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]-5-methylpyridazin-3-one

2-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]-5-methylpyridazin-3-one (PubChem CID 106548597) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]-5-methylpyridazin-3-one
PubChem CID106548597
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]-5-methylpyridazin-3-one
SMILESCOc1ccc(C(N)Cn2ncc(C)cc2=O)c(OC)c1
InChIInChI=1S/C15H19N3O3/c1-10-6-15(19)18(17-8-10)9-13(16)12-5-4-11(20-2)7-14(12)21-3/h4-8,13H,9,16H2,1-3H3
InChIKeyYFUFABGCCQETAT-UHFFFAOYSA-N
XLogP1.27
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]-5-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]pyridin-4-one
CID 62881699
2-[2-amino-2-(2,5-difluorophenyl)ethyl]-5-methylpyridazin-3-one
CID 107523246
2-[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]-5-methylpyridazin-3-one
CID 106548987
2-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methylpyridazin-3-one
CID 106548613
2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
CID 116937529
1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]piperidin-2-one
CID 43212302
4-amino-4-(2,4-dimethoxyphenyl)butan-2-one
CID 116940526
1-(2,4-dimethoxyphenyl)-2-(2-methylimidazol-1-yl)ethanamine
CID 16781353
3-amino-3-(2,4-dimethoxyphenyl)propanamide
CID 23366621
(2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 105047931
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]-5-methylpyridazin-3-one (CID 106548597) is 2-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]-5-methylpyridazin-3-one is COc1ccc(C(N)Cn2ncc(C)cc2=O)c(OC)c1.
What is the InChIKey of 2-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]-5-methylpyridazin-3-one?
The InChIKey is YFUFABGCCQETAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-6-15(19)18(17-8-10)9-13(16)12-5-4-11(20-2)7-14(12)21-3/h4-8,13H,9,16H2,1-3H3.
What are the key properties of 2-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]-5-methylpyridazin-3-one?
2-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]-5-methylpyridazin-3-one has a molecular weight of 289.34 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106548597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).