5-hydroxy-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridazine-3-carboxylic acid

C15H14N2O4 — CID 123640108

IUPAC5-hydroxy-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridazine-3-carboxylic acid
SMILESO=C(O)c1nn(C2CCc3ccccc3C2)cc(O)c1=O
InChIInChI=1S/C15H14N2O4/c18-12-8-17(16-13(14(12)19)15(20)21)11-6-5-9-3-1-2-4-10(9)7-11/h1-4,8,11,18H,5-7H2,(H,20,21)
InChIKeyVLYUIICELABXNN-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.38
Rot. Bonds2

About 5-hydroxy-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridazine-3-carboxylic acid

5-hydroxy-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridazine-3-carboxylic acid (PubChem CID 123640108) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-hydroxy-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridazine-3-carboxylic acid
PubChem CID123640108
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name5-hydroxy-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridazine-3-carboxylic acid
SMILESO=C(O)c1nn(C2CCc3ccccc3C2)cc(O)c1=O
InChIInChI=1S/C15H14N2O4/c18-12-8-17(16-13(14(12)19)15(20)21)11-6-5-9-3-1-2-4-10(9)7-11/h1-4,8,11,18H,5-7H2,(H,20,21)
InChIKeyVLYUIICELABXNN-UHFFFAOYSA-N
XLogP1.38
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetyl-5-hydroxy-1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridazin-4-one
CID 122448914
2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]acetic acid
CID 56701450
4-bromo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid
CID 114604990
3-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]propanoic acid
CID 65059978
4-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one
CID 168687046
3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylic acid
CID 130275617
5-hydroxy-N-methyl-4-oxo-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)pyridazine-3-carboxamide
CID 123137704
1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-diazinan-2-one
CID 113296320
2-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carbonyl]amino]acetic acid
CID 126434125
5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 156837949
(1-methylpyrazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95720627
3-(ethylamino)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one
CID 62306274

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridazine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridazine-3-carboxylic acid (CID 123640108) is 5-hydroxy-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridazine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridazine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridazine-3-carboxylic acid is O=C(O)c1nn(C2CCc3ccccc3C2)cc(O)c1=O.
What is the InChIKey of 5-hydroxy-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridazine-3-carboxylic acid?
The InChIKey is VLYUIICELABXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-12-8-17(16-13(14(12)19)15(20)21)11-6-5-9-3-1-2-4-10(9)7-11/h1-4,8,11,18H,5-7H2,(H,20,21).
What are the key properties of 5-hydroxy-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridazine-3-carboxylic acid?
5-hydroxy-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridazine-3-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridazine-3-carboxylic acid is sourced from PubChem (CID 123640108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).