6-amino-2-[3,5-dichloro-4-[(5-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione

C21H12Cl2N8O4 — CID 155268312

IUPAC6-amino-2-[3,5-dichloro-4-[(5-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione
SMILESNc1nn(-c2cc(Cl)c(Oc3cc(-c4ccc5ccnnc5c4)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C21H12Cl2N8O4/c22-13-6-11(31-21(34)26-20(33)18(24)30-31)7-14(23)17(13)35-16-8-12(19(32)29-28-16)10-2-1-9-3-4-25-27-15(9)5-10/h1-8H,(H2,24,30)(H,29,32)(H,26,33,34)
InChIKeyWKXQHKRDZZMFNT-UHFFFAOYSA-N
MW511.29 g/mol
LogP2.30
Rot. Bonds4

About 6-amino-2-[3,5-dichloro-4-[(5-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione

6-amino-2-[3,5-dichloro-4-[(5-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione (PubChem CID 155268312) has the molecular formula C21H12Cl2N8O4 and a molecular weight of 511.29 g/mol. Its IUPAC name is 6-amino-2-[3,5-dichloro-4-[(5-cinnolin-7-yl-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-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione
PubChem CID155268312
Molecular FormulaC21H12Cl2N8O4
Molecular Weight511.29 g/mol
Exact Mass510.04
IUPAC Name6-amino-2-[3,5-dichloro-4-[(5-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione
SMILESNc1nn(-c2cc(Cl)c(Oc3cc(-c4ccc5ccnnc5c4)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C21H12Cl2N8O4/c22-13-6-11(31-21(34)26-20(33)18(24)30-31)7-14(23)17(13)35-16-8-12(19(32)29-28-16)10-2-1-9-3-4-25-27-15(9)5-10/h1-8H,(H2,24,30)(H,29,32)(H,26,33,34)
InChIKeyWKXQHKRDZZMFNT-UHFFFAOYSA-N
XLogP2.30
TPSA174.53 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.29
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-amino-2-[3,5-dichloro-4-[(5-cinnolin-7-yl-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-cinnolin-7-yl-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-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione (CID 155268312) is 6-amino-2-[3,5-dichloro-4-[(5-cinnolin-7-yl-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-cinnolin-7-yl-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-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione is Nc1nn(-c2cc(Cl)c(Oc3cc(-c4ccc5ccnnc5c4)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-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione?
The InChIKey is WKXQHKRDZZMFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl2N8O4/c22-13-6-11(31-21(34)26-20(33)18(24)30-31)7-14(23)17(13)35-16-8-12(19(32)29-28-16)10-2-1-9-3-4-25-27-15(9)5-10/h1-8H,(H2,24,30)(H,29,32)(H,26,33,34).
What are the key properties of 6-amino-2-[3,5-dichloro-4-[(5-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione?
6-amino-2-[3,5-dichloro-4-[(5-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione has a molecular weight of 511.29 g/mol, XLogP of 2.30, 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-[(5-cinnolin-7-yl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 155268312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).