6-(carboxymethylcarbamoyl)-5-hydroxy-8-methyl-7-oxopyrido[2,3-c]pyridazine-3-carboxylic acid

C12H10N4O7 — CID 54741065

IUPAC6-(carboxymethylcarbamoyl)-5-hydroxy-8-methyl-7-oxopyrido[2,3-c]pyridazine-3-carboxylic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cc(C(=O)O)nnc21
InChIInChI=1S/C12H10N4O7/c1-16-9-4(2-5(12(22)23)14-15-9)8(19)7(11(16)21)10(20)13-3-6(17)18/h2,19H,3H2,1H3,(H,13,20)(H,17,18)(H,22,23)
InChIKeyHYEVUVGZDPYQLC-UHFFFAOYSA-N
MW322.23 g/mol
LogP-1.45
Rot. Bonds4

About 6-(carboxymethylcarbamoyl)-5-hydroxy-8-methyl-7-oxopyrido[2,3-c]pyridazine-3-carboxylic acid

6-(carboxymethylcarbamoyl)-5-hydroxy-8-methyl-7-oxopyrido[2,3-c]pyridazine-3-carboxylic acid (PubChem CID 54741065) has the molecular formula C12H10N4O7 and a molecular weight of 322.23 g/mol. Its IUPAC name is 6-(carboxymethylcarbamoyl)-5-hydroxy-8-methyl-7-oxopyrido[2,3-c]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(carboxymethylcarbamoyl)-5-hydroxy-8-methyl-7-oxopyrido[2,3-c]pyridazine-3-carboxylic acid
PubChem CID54741065
Molecular FormulaC12H10N4O7
Molecular Weight322.23 g/mol
Exact Mass322.05
IUPAC Name6-(carboxymethylcarbamoyl)-5-hydroxy-8-methyl-7-oxopyrido[2,3-c]pyridazine-3-carboxylic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cc(C(=O)O)nnc21
InChIInChI=1S/C12H10N4O7/c1-16-9-4(2-5(12(22)23)14-15-9)8(19)7(11(16)21)10(20)13-3-6(17)18/h2,19H,3H2,1H3,(H,13,20)(H,17,18)(H,22,23)
InChIKeyHYEVUVGZDPYQLC-UHFFFAOYSA-N
XLogP-1.45
TPSA171.71 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-(carboxymethylcarbamoyl)-5-hydroxy-8-methyl-7-oxopyrido[2,3-c]pyridazine-3-carboxylic acid with MolForge

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Related Compounds

2-[(5-hydroxy-8-methyl-7-oxo-3-thiophen-2-ylpyrido[2,3-c]pyridazine-6-carbonyl)amino]acetic acid
CID 54741076
2-[(3-cyclohex-3-en-1-yl-5-hydroxy-8-methyl-7-oxopyrido[2,3-c]pyridazine-6-carbonyl)amino]acetic acid
CID 66658622
2-[(5-hydroxy-8-methyl-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carbonyl)amino]acetic acid
CID 54741099
2-[(4-hydroxy-1-methyl-2-oxo-7-phenylquinoline-3-carbonyl)amino]acetic acid
CID 54681700
2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid
CID 54739162
2-[(6-cyano-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid
CID 59340046
2-[[6-cyclopent-2-en-1-yl-4-hydroxy-1-methyl-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]amino]acetic acid
CID 67460536
2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-3-ylquinoline-3-carbonyl)amino]acetic acid
CID 59340126
2-[[4-hydroxy-1-methyl-7-(2-methylphenyl)-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 59340054
2-[(7-hydroxy-4-methyl-5-oxo-2-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-6-carbonyl)amino]acetic acid
CID 54751422
tert-butyl 2-[(6-cyclopropyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]acetate
CID 70665764
2-[[6-(benzhydrylcarbamoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 118934623

Frequently Asked Questions

What is the IUPAC name of 6-(carboxymethylcarbamoyl)-5-hydroxy-8-methyl-7-oxopyrido[2,3-c]pyridazine-3-carboxylic acid?
The IUPAC name of 6-(carboxymethylcarbamoyl)-5-hydroxy-8-methyl-7-oxopyrido[2,3-c]pyridazine-3-carboxylic acid (CID 54741065) is 6-(carboxymethylcarbamoyl)-5-hydroxy-8-methyl-7-oxopyrido[2,3-c]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(carboxymethylcarbamoyl)-5-hydroxy-8-methyl-7-oxopyrido[2,3-c]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(carboxymethylcarbamoyl)-5-hydroxy-8-methyl-7-oxopyrido[2,3-c]pyridazine-3-carboxylic acid is Cn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cc(C(=O)O)nnc21.
What is the InChIKey of 6-(carboxymethylcarbamoyl)-5-hydroxy-8-methyl-7-oxopyrido[2,3-c]pyridazine-3-carboxylic acid?
The InChIKey is HYEVUVGZDPYQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O7/c1-16-9-4(2-5(12(22)23)14-15-9)8(19)7(11(16)21)10(20)13-3-6(17)18/h2,19H,3H2,1H3,(H,13,20)(H,17,18)(H,22,23).
What are the key properties of 6-(carboxymethylcarbamoyl)-5-hydroxy-8-methyl-7-oxopyrido[2,3-c]pyridazine-3-carboxylic acid?
6-(carboxymethylcarbamoyl)-5-hydroxy-8-methyl-7-oxopyrido[2,3-c]pyridazine-3-carboxylic acid has a molecular weight of 322.23 g/mol, XLogP of -1.45, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(carboxymethylcarbamoyl)-5-hydroxy-8-methyl-7-oxopyrido[2,3-c]pyridazine-3-carboxylic acid is sourced from PubChem (CID 54741065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).