6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

C12H18N4O5 — CID 157256186

IUPAC6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
SMILESCN1N=C(C(=O)O)CCC1=O.CN1N=C(CO)CCC1=O
InChIInChI=1S/C6H8N2O3.C6H10N2O2/c1-8-5(9)3-2-4(7-8)6(10)11;1-8-6(10)3-2-5(4-9)7-8/h2-3H2,1H3,(H,10,11);9H,2-4H2,1H3
InChIKeyAWXOPESNDVLROJ-UHFFFAOYSA-N
MW298.30 g/mol
LogP-0.73
Rot. Bonds2

About 6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (PubChem CID 157256186) has the molecular formula C12H18N4O5 and a molecular weight of 298.30 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
PubChem CID157256186
Molecular FormulaC12H18N4O5
Molecular Weight298.30 g/mol
Exact Mass298.13
IUPAC Name6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
SMILESCN1N=C(C(=O)O)CCC1=O.CN1N=C(CO)CCC1=O
InChIInChI=1S/C6H8N2O3.C6H10N2O2/c1-8-5(9)3-2-4(7-8)6(10)11;1-8-6(10)3-2-5(4-9)7-8/h2-3H2,1H3,(H,10,11);9H,2-4H2,1H3
InChIKeyAWXOPESNDVLROJ-UHFFFAOYSA-N
XLogP-0.73
TPSA122.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid with MolForge

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Related Compounds

1-Methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid
CID 4736916
1-(2-Hydroxyethyl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid
CID 15877719
6-Oxo-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyridazine-3-carboxylic acid
CID 164820227
6-Oxo-1-propyl-1,4,5,6-tetrahydropyridazine-3-carboxylic acid
CID 16228613
1-Butyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 16778875
6-Oxo-1-pentyl-4,5-dihydropyridazine-3-carboxylic acid
CID 43563755
1-Hexyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 43563758
2-Ethoxyethyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 52543984
4-Methoxybutyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 52887560
1-(2-Butoxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 54956244
1-(3-Methoxypropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 60925756
6-Oxo-1-pentan-3-yl-4,5-dihydropyridazine-3-carboxylic acid
CID 61270333

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The IUPAC name of 6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (CID 157256186) is 6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The canonical SMILES for 6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is CN1N=C(C(=O)O)CCC1=O.CN1N=C(CO)CCC1=O.
What is the InChIKey of 6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The InChIKey is AWXOPESNDVLROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3.C6H10N2O2/c1-8-5(9)3-2-4(7-8)6(10)11;1-8-6(10)3-2-5(4-9)7-8/h2-3H2,1H3,(H,10,11);9H,2-4H2,1H3.
What are the key properties of 6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2-methyl-4,5-dihydropyridazin-3-one;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is sourced from PubChem (CID 157256186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).