2-[3,5-dichloro-4-[(1-cyclopropyl-6-oxo-3-pyridinyl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid

C18H12Cl2N4O6 — CID 164765815

IUPAC2-[3,5-dichloro-4-[(1-cyclopropyl-6-oxo-3-pyridinyl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
SMILESO=C(O)c1nn(-c2cc(Cl)c(Oc3ccc(=O)n(C4CC4)c3)c(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C18H12Cl2N4O6/c19-11-5-9(24-18(29)21-16(26)14(22-24)17(27)28)6-12(20)15(11)30-10-3-4-13(25)23(7-10)8-1-2-8/h3-8H,1-2H2,(H,27,28)(H,21,26,29)
InChIKeyQPPRFXOHFPCBFL-UHFFFAOYSA-N
MW451.22 g/mol
LogP2.21
Rot. Bonds5

About 2-[3,5-dichloro-4-[(1-cyclopropyl-6-oxo-3-pyridinyl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid

2-[3,5-dichloro-4-[(1-cyclopropyl-6-oxo-3-pyridinyl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid (PubChem CID 164765815) has the molecular formula C18H12Cl2N4O6 and a molecular weight of 451.22 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-[(1-cyclopropyl-6-oxo-3-pyridinyl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid.

Molecular Properties

Compound Name2-[3,5-dichloro-4-[(1-cyclopropyl-6-oxo-3-pyridinyl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
PubChem CID164765815
Molecular FormulaC18H12Cl2N4O6
Molecular Weight451.22 g/mol
Exact Mass450.01
IUPAC Name2-[3,5-dichloro-4-[(1-cyclopropyl-6-oxo-3-pyridinyl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
SMILESO=C(O)c1nn(-c2cc(Cl)c(Oc3ccc(=O)n(C4CC4)c3)c(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C18H12Cl2N4O6/c19-11-5-9(24-18(29)21-16(26)14(22-24)17(27)28)6-12(20)15(11)30-10-3-4-13(25)23(7-10)8-1-2-8/h3-8H,1-2H2,(H,27,28)(H,21,26,29)
InChIKeyQPPRFXOHFPCBFL-UHFFFAOYSA-N
XLogP2.21
TPSA136.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.22
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[3,5-dichloro-4-[(1-cyclopropyl-6-oxo-3-pyridinyl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3,5-dichloro-4-(3-methyl-4-oxophthalazin-1-yl)oxyphenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
CID 177195959
2-[3,5-dichloro-4-[[1-oxo-2-(pyridin-4-ylmethyl)-3,4-dihydroisoquinolin-6-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
CID 169002013
2-[3,5-dichloro-4-[(1-oxo-2-pyridin-3-yl-3,4-dihydroisoquinolin-6-yl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
CID 162758009
2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
CID 59834482
2-[4-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptane-2-carbonyl]-4-hydroxyphenoxy]-3,5-dichlorophenyl]-6-chloro-1,2,4-triazine-3,5-dione
CID 159479827
2-(3-bromo-4-chlorophenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
CID 134123754
2-[4-(4-acetyl-2-ethylphenoxy)-3-chloro-5-methylphenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
CID 134090666
2-[3,5-dichloro-4-[[6-oxo-1-(1,1,3-trifluoropropan-2-yl)-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile
CID 175460483
2-[4-(difluoromethoxy)phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
CID 134124119
6-amino-2-[3,5-dichloro-4-[[1-(1,1-difluoro-1-phosphanylpropan-2-yl)-6-oxo-3-pyridinyl]oxy]phenyl]-1,2,4-triazine-3,5-dione
CID 163293517
2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
CID 4186658
2-(4-chloro-6-fluoro-2,3-dimethoxyphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
CID 134100831

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-[(1-cyclopropyl-6-oxo-3-pyridinyl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid?
The IUPAC name of 2-[3,5-dichloro-4-[(1-cyclopropyl-6-oxo-3-pyridinyl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid (CID 164765815) is 2-[3,5-dichloro-4-[(1-cyclopropyl-6-oxo-3-pyridinyl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid.
What is the SMILES notation for 2-[3,5-dichloro-4-[(1-cyclopropyl-6-oxo-3-pyridinyl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid?
The canonical SMILES for 2-[3,5-dichloro-4-[(1-cyclopropyl-6-oxo-3-pyridinyl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid is O=C(O)c1nn(-c2cc(Cl)c(Oc3ccc(=O)n(C4CC4)c3)c(Cl)c2)c(=O)[nH]c1=O.
What is the InChIKey of 2-[3,5-dichloro-4-[(1-cyclopropyl-6-oxo-3-pyridinyl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid?
The InChIKey is QPPRFXOHFPCBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4O6/c19-11-5-9(24-18(29)21-16(26)14(22-24)17(27)28)6-12(20)15(11)30-10-3-4-13(25)23(7-10)8-1-2-8/h3-8H,1-2H2,(H,27,28)(H,21,26,29).
What are the key properties of 2-[3,5-dichloro-4-[(1-cyclopropyl-6-oxo-3-pyridinyl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid?
2-[3,5-dichloro-4-[(1-cyclopropyl-6-oxo-3-pyridinyl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid has a molecular weight of 451.22 g/mol, XLogP of 2.21, 5 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-[(1-cyclopropyl-6-oxo-3-pyridinyl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid is sourced from PubChem (CID 164765815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).