5-(dimethylamino)-4-(1-hydroxyethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one

C16H21N3O3 — CID 174354466

IUPAC5-(dimethylamino)-4-(1-hydroxyethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one
SMILESCOc1ccc(Cn2ncc(N(C)C)c(C(C)O)c2=O)cc1
InChIInChI=1S/C16H21N3O3/c1-11(20)15-14(18(2)3)9-17-19(16(15)21)10-12-5-7-13(22-4)8-6-12/h5-9,11,20H,10H2,1-4H3
InChIKeyFOGBSDJHCVWFKE-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.42
Rot. Bonds5

About 5-(dimethylamino)-4-(1-hydroxyethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one

5-(dimethylamino)-4-(1-hydroxyethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one (PubChem CID 174354466) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-(dimethylamino)-4-(1-hydroxyethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-4-(1-hydroxyethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one
PubChem CID174354466
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name5-(dimethylamino)-4-(1-hydroxyethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one
SMILESCOc1ccc(Cn2ncc(N(C)C)c(C(C)O)c2=O)cc1
InChIInChI=1S/C16H21N3O3/c1-11(20)15-14(18(2)3)9-17-19(16(15)21)10-12-5-7-13(22-4)8-6-12/h5-9,11,20H,10H2,1-4H3
InChIKeyFOGBSDJHCVWFKE-UHFFFAOYSA-N
XLogP1.42
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-chloro-5-(1-hydroxyethyl)-2-[(4-methoxyphenyl)methyl]phthalazin-1-one
CID 165392792
5-bromo-2-[(4-methoxyphenyl)methyl]-4-(methylamino)pyridazin-3-one
CID 46930441
5-ethenyl-2-[(4-methoxyphenyl)methyl]phthalazin-1-one
CID 165393026
3-bromo-5-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-d]pyridazin-4-one
CID 165392556
4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbaldehyde
CID 136922670
1-(2-hydroxyethyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-d]pyridazin-5-one
CID 165392905
1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[5,4-b]pyridine
CID 71699687
5-but-3-en-2-yl-1-[(4-methoxyphenyl)methyl]pyrazol-4-ol
CID 177454351
ethyl (2R)-2-hydroxy-3-[(2S)-2-[[1-[(4-methoxyphenyl)methyl]-6-oxo-5-(trifluoromethyl)pyridazin-4-yl]amino]propoxy]propanoate
CID 164854862
7-hydroxy-3-[(4-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one
CID 162683757
(3S)-3-[(1R)-1-hydroxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 54758410
5-(2-methoxyethenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid
CID 67434499

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-4-(1-hydroxyethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-4-(1-hydroxyethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one (CID 174354466) is 5-(dimethylamino)-4-(1-hydroxyethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-4-(1-hydroxyethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-4-(1-hydroxyethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one is COc1ccc(Cn2ncc(N(C)C)c(C(C)O)c2=O)cc1.
What is the InChIKey of 5-(dimethylamino)-4-(1-hydroxyethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one?
The InChIKey is FOGBSDJHCVWFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11(20)15-14(18(2)3)9-17-19(16(15)21)10-12-5-7-13(22-4)8-6-12/h5-9,11,20H,10H2,1-4H3.
What are the key properties of 5-(dimethylamino)-4-(1-hydroxyethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one?
5-(dimethylamino)-4-(1-hydroxyethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one has a molecular weight of 303.36 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-4-(1-hydroxyethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 174354466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).