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

C20H12Cl2N8O4 — CID 155268428

IUPAC6-amino-2-[3,5-dichloro-4-[(6-oxo-4-pyrazolo[1,5-a]pyridin-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione
SMILESNc1nn(-c2cc(Cl)c(Oc3n[nH]c(=O)cc3-c3cc4ccccn4n3)c(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C20H12Cl2N8O4/c21-12-5-10(30-20(33)24-18(32)17(23)28-30)6-13(22)16(12)34-19-11(8-15(31)25-26-19)14-7-9-3-1-2-4-29(9)27-14/h1-8H,(H2,23,28)(H,25,31)(H,24,32,33)
InChIKeyQOHBFLCXJQDVTO-UHFFFAOYSA-N
MW499.27 g/mol
LogP2.00
Rot. Bonds4

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

6-amino-2-[3,5-dichloro-4-[(6-oxo-4-pyrazolo[1,5-a]pyridin-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione (PubChem CID 155268428) has the molecular formula C20H12Cl2N8O4 and a molecular weight of 499.27 g/mol. Its IUPAC name is 6-amino-2-[3,5-dichloro-4-[(6-oxo-4-pyrazolo[1,5-a]pyridin-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-amino-2-[3,5-dichloro-4-[(6-oxo-4-pyrazolo[1,5-a]pyridin-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione
PubChem CID155268428
Molecular FormulaC20H12Cl2N8O4
Molecular Weight499.27 g/mol
Exact Mass498.04
IUPAC Name6-amino-2-[3,5-dichloro-4-[(6-oxo-4-pyrazolo[1,5-a]pyridin-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione
SMILESNc1nn(-c2cc(Cl)c(Oc3n[nH]c(=O)cc3-c3cc4ccccn4n3)c(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C20H12Cl2N8O4/c21-12-5-10(30-20(33)24-18(32)17(23)28-30)6-13(22)16(12)34-19-11(8-15(31)25-26-19)14-7-9-3-1-2-4-29(9)27-14/h1-8H,(H2,23,28)(H,25,31)(H,24,32,33)
InChIKeyQOHBFLCXJQDVTO-UHFFFAOYSA-N
XLogP2.00
TPSA166.05 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.27
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-amino-2-[3,5-dichloro-4-[(6-oxo-4-pyrazolo[1,5-a]pyridin-2-yl-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-[(6-oxo-4-pyrazolo[1,5-a]pyridin-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-amino-2-[3,5-dichloro-4-[(6-oxo-4-pyrazolo[1,5-a]pyridin-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione (CID 155268428) is 6-amino-2-[3,5-dichloro-4-[(6-oxo-4-pyrazolo[1,5-a]pyridin-2-yl-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-[(6-oxo-4-pyrazolo[1,5-a]pyridin-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-amino-2-[3,5-dichloro-4-[(6-oxo-4-pyrazolo[1,5-a]pyridin-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione is Nc1nn(-c2cc(Cl)c(Oc3n[nH]c(=O)cc3-c3cc4ccccn4n3)c(Cl)c2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-2-[3,5-dichloro-4-[(6-oxo-4-pyrazolo[1,5-a]pyridin-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione?
The InChIKey is QOHBFLCXJQDVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N8O4/c21-12-5-10(30-20(33)24-18(32)17(23)28-30)6-13(22)16(12)34-19-11(8-15(31)25-26-19)14-7-9-3-1-2-4-29(9)27-14/h1-8H,(H2,23,28)(H,25,31)(H,24,32,33).
What are the key properties of 6-amino-2-[3,5-dichloro-4-[(6-oxo-4-pyrazolo[1,5-a]pyridin-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione?
6-amino-2-[3,5-dichloro-4-[(6-oxo-4-pyrazolo[1,5-a]pyridin-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione has a molecular weight of 499.27 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[3,5-dichloro-4-[(6-oxo-4-pyrazolo[1,5-a]pyridin-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 155268428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).