6-amino-2-[3,5-dichloro-4-[[5-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione

C20H13Cl2FN6O4 — CID 155268326

IUPAC6-amino-2-[3,5-dichloro-4-[[5-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione
SMILESCc1cccc(-c2cc(Oc3c(Cl)cc(-n4nc(N)c(=O)[nH]c4=O)cc3Cl)n[nH]c2=O)c1F
InChIInChI=1S/C20H13Cl2FN6O4/c1-8-3-2-4-10(15(8)23)11-7-14(26-27-18(11)30)33-16-12(21)5-9(6-13(16)22)29-20(32)25-19(31)17(24)28-29/h2-7H,1H3,(H2,24,28)(H,27,30)(H,25,31,32)
InChIKeyARSQRMDGQGJZME-UHFFFAOYSA-N
MW491.27 g/mol
LogP2.80
Rot. Bonds4

About 6-amino-2-[3,5-dichloro-4-[[5-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione

6-amino-2-[3,5-dichloro-4-[[5-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione (PubChem CID 155268326) has the molecular formula C20H13Cl2FN6O4 and a molecular weight of 491.27 g/mol. Its IUPAC name is 6-amino-2-[3,5-dichloro-4-[[5-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-amino-2-[3,5-dichloro-4-[[5-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione
PubChem CID155268326
Molecular FormulaC20H13Cl2FN6O4
Molecular Weight491.27 g/mol
Exact Mass490.04
IUPAC Name6-amino-2-[3,5-dichloro-4-[[5-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione
SMILESCc1cccc(-c2cc(Oc3c(Cl)cc(-n4nc(N)c(=O)[nH]c4=O)cc3Cl)n[nH]c2=O)c1F
InChIInChI=1S/C20H13Cl2FN6O4/c1-8-3-2-4-10(15(8)23)11-7-14(26-27-18(11)30)33-16-12(21)5-9(6-13(16)22)29-20(32)25-19(31)17(24)28-29/h2-7H,1H3,(H2,24,28)(H,27,30)(H,25,31,32)
InChIKeyARSQRMDGQGJZME-UHFFFAOYSA-N
XLogP2.80
TPSA148.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.27
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[3,5-dichloro-4-[[5-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-amino-2-[3,5-dichloro-4-[[5-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione (CID 155268326) is 6-amino-2-[3,5-dichloro-4-[[5-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-amino-2-[3,5-dichloro-4-[[5-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-amino-2-[3,5-dichloro-4-[[5-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione is Cc1cccc(-c2cc(Oc3c(Cl)cc(-n4nc(N)c(=O)[nH]c4=O)cc3Cl)n[nH]c2=O)c1F.
What is the InChIKey of 6-amino-2-[3,5-dichloro-4-[[5-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione?
The InChIKey is ARSQRMDGQGJZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2FN6O4/c1-8-3-2-4-10(15(8)23)11-7-14(26-27-18(11)30)33-16-12(21)5-9(6-13(16)22)29-20(32)25-19(31)17(24)28-29/h2-7H,1H3,(H2,24,28)(H,27,30)(H,25,31,32).
What are the key properties of 6-amino-2-[3,5-dichloro-4-[[5-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione?
6-amino-2-[3,5-dichloro-4-[[5-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione has a molecular weight of 491.27 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[3,5-dichloro-4-[[5-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 155268326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).