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

C10H13N3O4 — CID 65450800

IUPAC1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopropane-1-carboxylic acid
SMILESCN1N=C(C(=O)NC2(C(=O)O)CC2)CCC1=O
InChIInChI=1S/C10H13N3O4/c1-13-7(14)3-2-6(12-13)8(15)11-10(4-5-10)9(16)17/h2-5H2,1H3,(H,11,15)(H,16,17)
InChIKeyJZPAZLLGAXXNBR-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.67
Rot. Bonds3

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

1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopropane-1-carboxylic acid (PubChem CID 65450800) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopropane-1-carboxylic acid
PubChem CID65450800
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopropane-1-carboxylic acid
SMILESCN1N=C(C(=O)NC2(C(=O)O)CC2)CCC1=O
InChIInChI=1S/C10H13N3O4/c1-13-7(14)3-2-6(12-13)8(15)11-10(4-5-10)9(16)17/h2-5H2,1H3,(H,11,15)(H,16,17)
InChIKeyJZPAZLLGAXXNBR-UHFFFAOYSA-N
XLogP-0.67
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.67
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]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopropane-1-carboxylic acid (CID 65450800) is 1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopropane-1-carboxylic acid is CN1N=C(C(=O)NC2(C(=O)O)CC2)CCC1=O.
What is the InChIKey of 1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is JZPAZLLGAXXNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-13-7(14)3-2-6(12-13)8(15)11-10(4-5-10)9(16)17/h2-5H2,1H3,(H,11,15)(H,16,17).
What are the key properties of 1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopropane-1-carboxylic acid?
1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of -0.67, 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]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 65450800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).