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

C19H12Cl2N6O4 — CID 155268446

IUPAC2-[3,5-dichloro-4-[[4-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione
SMILESCc1cc(-c2cc(=O)[nH]nc2Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccn1
InChIInChI=1S/C19H12Cl2N6O4/c1-9-4-10(2-3-22-9)12-7-15(28)25-26-18(12)31-17-13(20)5-11(6-14(17)21)27-19(30)24-16(29)8-23-27/h2-8H,1H3,(H,25,28)(H,24,29,30)
InChIKeyCCIMZVJMPYMDNG-UHFFFAOYSA-N
MW459.25 g/mol
LogP2.47
Rot. Bonds4

About 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

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 (PubChem CID 155268446) has the molecular formula C19H12Cl2N6O4 and a molecular weight of 459.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[3,5-dichloro-4-[[4-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione
PubChem CID155268446
Molecular FormulaC19H12Cl2N6O4
Molecular Weight459.25 g/mol
Exact Mass458.03
IUPAC Name2-[3,5-dichloro-4-[[4-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione
SMILESCc1cc(-c2cc(=O)[nH]nc2Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccn1
InChIInChI=1S/C19H12Cl2N6O4/c1-9-4-10(2-3-22-9)12-7-15(28)25-26-18(12)31-17-13(20)5-11(6-14(17)21)27-19(30)24-16(29)8-23-27/h2-8H,1H3,(H,25,28)(H,24,29,30)
InChIKeyCCIMZVJMPYMDNG-UHFFFAOYSA-N
XLogP2.47
TPSA135.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.25
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 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-[[4-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2cc(=O)[nH]nc2Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccn1.
What is the InChIKey of 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?
The InChIKey is CCIMZVJMPYMDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N6O4/c1-9-4-10(2-3-22-9)12-7-15(28)25-26-18(12)31-17-13(20)5-11(6-14(17)21)27-19(30)24-16(29)8-23-27/h2-8H,1H3,(H,25,28)(H,24,29,30).
What are the key properties of 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?
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 has a molecular weight of 459.25 g/mol, XLogP of 2.47, 4 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-[[4-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 155268446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).