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

C19H11Cl2FN6O4 — CID 155268678

IUPAC6-amino-2-[3,5-dichloro-4-[[5-(3-fluorophenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione
SMILESNc1nn(-c2cc(Cl)c(Oc3cc(-c4cccc(F)c4)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C19H11Cl2FN6O4/c20-12-5-10(28-19(31)24-18(30)16(23)27-28)6-13(21)15(12)32-14-7-11(17(29)26-25-14)8-2-1-3-9(22)4-8/h1-7H,(H2,23,27)(H,26,29)(H,24,30,31)
InChIKeyKQKUTPYMFRLOTP-UHFFFAOYSA-N
MW477.24 g/mol
LogP2.49
Rot. Bonds4

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

6-amino-2-[3,5-dichloro-4-[[5-(3-fluorophenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione (PubChem CID 155268678) has the molecular formula C19H11Cl2FN6O4 and a molecular weight of 477.24 g/mol. Its IUPAC name is 6-amino-2-[3,5-dichloro-4-[[5-(3-fluorophenyl)-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-(3-fluorophenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione
PubChem CID155268678
Molecular FormulaC19H11Cl2FN6O4
Molecular Weight477.24 g/mol
Exact Mass476.02
IUPAC Name6-amino-2-[3,5-dichloro-4-[[5-(3-fluorophenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione
SMILESNc1nn(-c2cc(Cl)c(Oc3cc(-c4cccc(F)c4)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C19H11Cl2FN6O4/c20-12-5-10(28-19(31)24-18(30)16(23)27-28)6-13(21)15(12)32-14-7-11(17(29)26-25-14)8-2-1-3-9(22)4-8/h1-7H,(H2,23,27)(H,26,29)(H,24,30,31)
InChIKeyKQKUTPYMFRLOTP-UHFFFAOYSA-N
XLogP2.49
TPSA148.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.24
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-amino-2-[3,5-dichloro-4-[[5-(3-fluorophenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-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 6-amino-2-[3,5-dichloro-4-[[5-(3-fluorophenyl)-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-(3-fluorophenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione (CID 155268678) is 6-amino-2-[3,5-dichloro-4-[[5-(3-fluorophenyl)-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-(3-fluorophenyl)-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-(3-fluorophenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione is Nc1nn(-c2cc(Cl)c(Oc3cc(-c4cccc(F)c4)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-2-[3,5-dichloro-4-[[5-(3-fluorophenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione?
The InChIKey is KQKUTPYMFRLOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2FN6O4/c20-12-5-10(28-19(31)24-18(30)16(23)27-28)6-13(21)15(12)32-14-7-11(17(29)26-25-14)8-2-1-3-9(22)4-8/h1-7H,(H2,23,27)(H,26,29)(H,24,30,31).
What are the key properties of 6-amino-2-[3,5-dichloro-4-[[5-(3-fluorophenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione?
6-amino-2-[3,5-dichloro-4-[[5-(3-fluorophenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione has a molecular weight of 477.24 g/mol, XLogP of 2.49, 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-(3-fluorophenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 155268678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).