2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-1,2,4-triazine-3,5-dione

C19H20Cl2N6O4 — CID 155276742

IUPAC2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-1,2,4-triazine-3,5-dione
SMILESCC(C)c1cc(Oc2c(Cl)cc(-n3nc(CN(C)C)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O
InChIInChI=1S/C19H20Cl2N6O4/c1-9(2)11-7-15(23-24-17(11)28)31-16-12(20)5-10(6-13(16)21)27-19(30)22-18(29)14(25-27)8-26(3)4/h5-7,9H,8H2,1-4H3,(H,24,28)(H,22,29,30)
InChIKeyLOCFXHHBMJOZFT-UHFFFAOYSA-N
MW467.31 g/mol
LogP2.29
Rot. Bonds6

About 2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-1,2,4-triazine-3,5-dione

2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-1,2,4-triazine-3,5-dione (PubChem CID 155276742) has the molecular formula C19H20Cl2N6O4 and a molecular weight of 467.31 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-1,2,4-triazine-3,5-dione
PubChem CID155276742
Molecular FormulaC19H20Cl2N6O4
Molecular Weight467.31 g/mol
Exact Mass466.09
IUPAC Name2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-1,2,4-triazine-3,5-dione
SMILESCC(C)c1cc(Oc2c(Cl)cc(-n3nc(CN(C)C)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O
InChIInChI=1S/C19H20Cl2N6O4/c1-9(2)11-7-15(23-24-17(11)28)31-16-12(20)5-10(6-13(16)21)27-19(30)22-18(29)14(25-27)8-26(3)4/h5-7,9H,8H2,1-4H3,(H,24,28)(H,22,29,30)
InChIKeyLOCFXHHBMJOZFT-UHFFFAOYSA-N
XLogP2.29
TPSA125.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-1,2,4-triazine-3,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-1,2,4-triazine-3,5-dione (CID 155276742) is 2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-1,2,4-triazine-3,5-dione is CC(C)c1cc(Oc2c(Cl)cc(-n3nc(CN(C)C)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O.
What is the InChIKey of 2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-1,2,4-triazine-3,5-dione?
The InChIKey is LOCFXHHBMJOZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N6O4/c1-9(2)11-7-15(23-24-17(11)28)31-16-12(20)5-10(6-13(16)21)27-19(30)22-18(29)14(25-27)8-26(3)4/h5-7,9H,8H2,1-4H3,(H,24,28)(H,22,29,30).
What are the key properties of 2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-1,2,4-triazine-3,5-dione?
2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-1,2,4-triazine-3,5-dione has a molecular weight of 467.31 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-[(dimethylamino)methyl]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 155276742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).