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

C20H14Cl2N6O4 — CID 162482086

IUPAC2-[3,5-dichloro-4-[[6-oxo-5-(pyridin-2-ylmethyl)-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione
SMILESCc1nn(-c2cc(Cl)c(Oc3cc(Cc4ccccn4)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C20H14Cl2N6O4/c1-10-18(29)24-20(31)28(27-10)13-8-14(21)17(15(22)9-13)32-16-7-11(19(30)26-25-16)6-12-4-2-3-5-23-12/h2-5,7-9H,6H2,1H3,(H,26,30)(H,24,29,31)
InChIKeyXDQARCGTSREVOG-UHFFFAOYSA-N
MW473.28 g/mol
LogP2.40
Rot. Bonds5

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

2-[3,5-dichloro-4-[[6-oxo-5-(pyridin-2-ylmethyl)-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione (PubChem CID 162482086) has the molecular formula C20H14Cl2N6O4 and a molecular weight of 473.28 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-[[6-oxo-5-(pyridin-2-ylmethyl)-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-[3,5-dichloro-4-[[6-oxo-5-(pyridin-2-ylmethyl)-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione
PubChem CID162482086
Molecular FormulaC20H14Cl2N6O4
Molecular Weight473.28 g/mol
Exact Mass472.05
IUPAC Name2-[3,5-dichloro-4-[[6-oxo-5-(pyridin-2-ylmethyl)-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione
SMILESCc1nn(-c2cc(Cl)c(Oc3cc(Cc4ccccn4)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C20H14Cl2N6O4/c1-10-18(29)24-20(31)28(27-10)13-8-14(21)17(15(22)9-13)32-16-7-11(19(30)26-25-16)6-12-4-2-3-5-23-12/h2-5,7-9H,6H2,1H3,(H,26,30)(H,24,29,31)
InChIKeyXDQARCGTSREVOG-UHFFFAOYSA-N
XLogP2.40
TPSA135.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.28
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-[[6-oxo-5-(pyridin-2-ylmethyl)-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-[3,5-dichloro-4-[[6-oxo-5-(pyridin-2-ylmethyl)-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione (CID 162482086) is 2-[3,5-dichloro-4-[[6-oxo-5-(pyridin-2-ylmethyl)-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-[3,5-dichloro-4-[[6-oxo-5-(pyridin-2-ylmethyl)-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-[3,5-dichloro-4-[[6-oxo-5-(pyridin-2-ylmethyl)-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione is Cc1nn(-c2cc(Cl)c(Oc3cc(Cc4ccccn4)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O.
What is the InChIKey of 2-[3,5-dichloro-4-[[6-oxo-5-(pyridin-2-ylmethyl)-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione?
The InChIKey is XDQARCGTSREVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N6O4/c1-10-18(29)24-20(31)28(27-10)13-8-14(21)17(15(22)9-13)32-16-7-11(19(30)26-25-16)6-12-4-2-3-5-23-12/h2-5,7-9H,6H2,1H3,(H,26,30)(H,24,29,31).
What are the key properties of 2-[3,5-dichloro-4-[[6-oxo-5-(pyridin-2-ylmethyl)-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione?
2-[3,5-dichloro-4-[[6-oxo-5-(pyridin-2-ylmethyl)-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione has a molecular weight of 473.28 g/mol, XLogP of 2.40, 5 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-(pyridin-2-ylmethyl)-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 162482086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).