1-methyl-2-(4-methylphenyl)-4-morpholin-4-ylpyridazine-3,6-dione

C16H19N3O3 — CID 91085632

IUPAC1-methyl-2-(4-methylphenyl)-4-morpholin-4-ylpyridazine-3,6-dione
SMILESCc1ccc(-n2c(=O)c(N3CCOCC3)cc(=O)n2C)cc1
InChIInChI=1S/C16H19N3O3/c1-12-3-5-13(6-4-12)19-16(21)14(11-15(20)17(19)2)18-7-9-22-10-8-18/h3-6,11H,7-10H2,1-2H3
InChIKeyQGJAIMPMYMAGSN-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.68
Rot. Bonds2

About 1-methyl-2-(4-methylphenyl)-4-morpholin-4-ylpyridazine-3,6-dione

1-methyl-2-(4-methylphenyl)-4-morpholin-4-ylpyridazine-3,6-dione (PubChem CID 91085632) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-methyl-2-(4-methylphenyl)-4-morpholin-4-ylpyridazine-3,6-dione.

Molecular Properties

Compound Name1-methyl-2-(4-methylphenyl)-4-morpholin-4-ylpyridazine-3,6-dione
PubChem CID91085632
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-methyl-2-(4-methylphenyl)-4-morpholin-4-ylpyridazine-3,6-dione
SMILESCc1ccc(-n2c(=O)c(N3CCOCC3)cc(=O)n2C)cc1
InChIInChI=1S/C16H19N3O3/c1-12-3-5-13(6-4-12)19-16(21)14(11-15(20)17(19)2)18-7-9-22-10-8-18/h3-6,11H,7-10H2,1-2H3
InChIKeyQGJAIMPMYMAGSN-UHFFFAOYSA-N
XLogP0.68
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
5-(2,5-dimethylphenyl)-1-methyl-3-morpholin-4-ylpyridin-2-one
CID 123391037
ethane;(4-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene
CID 157373423
2-(4-methylphenyl)-5-morpholin-4-yl-6-nitroisoindole-1,3-dione
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5-methyl-2-morpholin-4-ylbenzoic acid
CID 62516703
1-(5-methyl-2-morpholin-4-ylphenyl)ethanone
CID 117312505
2-(4-methylphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione
CID 1105075
1,3-dimethyl-5-morpholin-4-yl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 2786001
ethane;6-methyl-4-morpholin-4-yl-1H-quinolin-2-one
CID 145235325
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 15990108
4-[2-(furan-2-yl)-4-methylphenyl]morpholine
CID 168526395

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-methylphenyl)-4-morpholin-4-ylpyridazine-3,6-dione?
The IUPAC name of 1-methyl-2-(4-methylphenyl)-4-morpholin-4-ylpyridazine-3,6-dione (CID 91085632) is 1-methyl-2-(4-methylphenyl)-4-morpholin-4-ylpyridazine-3,6-dione.
What is the SMILES notation for 1-methyl-2-(4-methylphenyl)-4-morpholin-4-ylpyridazine-3,6-dione?
The canonical SMILES for 1-methyl-2-(4-methylphenyl)-4-morpholin-4-ylpyridazine-3,6-dione is Cc1ccc(-n2c(=O)c(N3CCOCC3)cc(=O)n2C)cc1.
What is the InChIKey of 1-methyl-2-(4-methylphenyl)-4-morpholin-4-ylpyridazine-3,6-dione?
The InChIKey is QGJAIMPMYMAGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-12-3-5-13(6-4-12)19-16(21)14(11-15(20)17(19)2)18-7-9-22-10-8-18/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-methyl-2-(4-methylphenyl)-4-morpholin-4-ylpyridazine-3,6-dione?
1-methyl-2-(4-methylphenyl)-4-morpholin-4-ylpyridazine-3,6-dione has a molecular weight of 301.35 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-methylphenyl)-4-morpholin-4-ylpyridazine-3,6-dione is sourced from PubChem (CID 91085632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).