1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H19N3O4 — CID 43245288

IUPAC1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCN1N=C(C(=O)NC2(C(=O)O)CCCCC2)CCC1=O
InChIInChI=1S/C13H19N3O4/c1-16-10(17)6-5-9(15-16)11(18)14-13(12(19)20)7-3-2-4-8-13/h2-8H2,1H3,(H,14,18)(H,19,20)
InChIKeyHXSCBYLJBFHDDD-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.50
Rot. Bonds3

About 1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 43245288) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID43245288
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCN1N=C(C(=O)NC2(C(=O)O)CCCCC2)CCC1=O
InChIInChI=1S/C13H19N3O4/c1-16-10(17)6-5-9(15-16)11(18)14-13(12(19)20)7-3-2-4-8-13/h2-8H2,1H3,(H,14,18)(H,19,20)
InChIKeyHXSCBYLJBFHDDD-UHFFFAOYSA-N
XLogP0.50
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 43245288) is 1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is CN1N=C(C(=O)NC2(C(=O)O)CCCCC2)CCC1=O.
What is the InChIKey of 1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is HXSCBYLJBFHDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-16-10(17)6-5-9(15-16)11(18)14-13(12(19)20)7-3-2-4-8-13/h2-8H2,1H3,(H,14,18)(H,19,20).
What are the key properties of 1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43245288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).