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

C20H16Cl2N6O4 — CID 149003542

IUPAC2-[3,5-dichloro-4-[[6-oxo-5-(pyridin-2-ylmethyl)-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazinane-3,5-dione
SMILESCC1NN(c2cc(Cl)c(Oc3cc(Cc4ccccn4)c(=O)[nH]n3)c(Cl)c2)C(=O)NC1=O
InChIInChI=1S/C20H16Cl2N6O4/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/h2-5,7-10,27H,6H2,1H3,(H,26,30)(H,24,29,31)
InChIKeyQADBKTQURCRHRF-UHFFFAOYSA-N
MW475.29 g/mol
LogP2.80
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-triazinane-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-triazinane-3,5-dione (PubChem CID 149003542) has the molecular formula C20H16Cl2N6O4 and a molecular weight of 475.29 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-triazinane-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-triazinane-3,5-dione
PubChem CID149003542
Molecular FormulaC20H16Cl2N6O4
Molecular Weight475.29 g/mol
Exact Mass474.06
IUPAC Name2-[3,5-dichloro-4-[[6-oxo-5-(pyridin-2-ylmethyl)-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazinane-3,5-dione
SMILESCC1NN(c2cc(Cl)c(Oc3cc(Cc4ccccn4)c(=O)[nH]n3)c(Cl)c2)C(=O)NC1=O
InChIInChI=1S/C20H16Cl2N6O4/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/h2-5,7-10,27H,6H2,1H3,(H,26,30)(H,24,29,31)
InChIKeyQADBKTQURCRHRF-UHFFFAOYSA-N
XLogP2.80
TPSA129.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.29
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-pyridin-2-yl-1,2,4-triazine-3,5-dione
CID 172970581
2-(3,5-dichloro-4-((6-oxo-5-(pyridin-2-ylmethyl)-1,6-dihydropyridazin-3-yl)oxy)phenyl)-6-methyl-1,2,4-triazine-3,5(2H,4H)-dione
CID 162482086
1-(3,5-Dichloro-4-pyridin-2-yloxyphenyl)-1,2,4-triazinane-3,5-dione
CID 19881224
pyridin-3-yl-acetic acid 3-[2,6-dichloro-4-(6-cyano-3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-yl)-phenoxy]-5-isopropyl-6-oxo-6H-pyridazin-1-ylmethyl ester
CID 25230750
isonicotinic acid 3-[2,6-dichloro-4-(6-cyano-3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-yl)-phenoxy]-5-isopropyl-6-oxo-6H-pyridazin-1-ylmethyl ester
CID 25230804
6-amino-2-[3,5-dichloro-4-[(6-oxo-5-quinolin-3-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione
CID 155268225
6-amino-2-[3,5-dichloro-4-[(6-oxo-4-quinolin-3-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione
CID 155268316
6-amino-2-[3,5-dichloro-4-[(6-oxo-5-quinolin-6-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione
CID 155268358
6-amino-2-[3,5-dichloro-4-[(6-oxo-5-pyrazolo[1,5-a]pyridin-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione
CID 155268411
2-(3,5-dichloro-4-((5-(5-methylpyridin-3-yl)-6-oxo-1,6-dihydropyridazin-3-yl)oxy)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione
CID 155268440
2-[3,5-dichloro-4-[[4-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione
CID 155268446
tert-butyl N-[2-[3,5-dichloro-4-[[5-[(5-methoxy-2-pyridinyl)methyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazin-6-yl]carbamate
CID 155268470

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-triazinane-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-triazinane-3,5-dione (CID 149003542) is 2-[3,5-dichloro-4-[[6-oxo-5-(pyridin-2-ylmethyl)-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazinane-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-triazinane-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-triazinane-3,5-dione is CC1NN(c2cc(Cl)c(Oc3cc(Cc4ccccn4)c(=O)[nH]n3)c(Cl)c2)C(=O)NC1=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-triazinane-3,5-dione?
The InChIKey is QADBKTQURCRHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N6O4/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/h2-5,7-10,27H,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-triazinane-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-triazinane-3,5-dione has a molecular weight of 475.29 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 7 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-triazinane-3,5-dione is sourced from PubChem (CID 149003542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).