1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid

C13H17N3O4 — CID 81158892

IUPAC1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCCCn1nc(C(=O)NC2(C(=O)O)CCC2)ccc1=O
InChIInChI=1S/C13H17N3O4/c1-2-8-16-10(17)5-4-9(15-16)11(18)14-13(12(19)20)6-3-7-13/h4-5H,2-3,6-8H2,1H3,(H,14,18)(H,19,20)
InChIKeyBGDXRXBKNFAUQJ-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.39
Rot. Bonds5

About 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid

1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81158892) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81158892
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCCCn1nc(C(=O)NC2(C(=O)O)CCC2)ccc1=O
InChIInChI=1S/C13H17N3O4/c1-2-8-16-10(17)5-4-9(15-16)11(18)14-13(12(19)20)6-3-7-13/h4-5H,2-3,6-8H2,1H3,(H,14,18)(H,19,20)
InChIKeyBGDXRXBKNFAUQJ-UHFFFAOYSA-N
XLogP0.39
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 81158892) is 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid is CCCn1nc(C(=O)NC2(C(=O)O)CCC2)ccc1=O.
What is the InChIKey of 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is BGDXRXBKNFAUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-2-8-16-10(17)5-4-9(15-16)11(18)14-13(12(19)20)6-3-7-13/h4-5H,2-3,6-8H2,1H3,(H,14,18)(H,19,20).
What are the key properties of 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81158892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).