1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid

C11H13N3O4 — CID 81157763

IUPAC1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCn1nc(C(=O)NC2(C(=O)O)CCC2)ccc1=O
InChIInChI=1S/C11H13N3O4/c1-14-8(15)4-3-7(13-14)9(16)12-11(10(17)18)5-2-6-11/h3-4H,2,5-6H2,1H3,(H,12,16)(H,17,18)
InChIKeyNGXORAPZQNLTAN-UHFFFAOYSA-N
MW251.24 g/mol
LogP-0.48
Rot. Bonds3

About 1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid

1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81157763) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81157763
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCn1nc(C(=O)NC2(C(=O)O)CCC2)ccc1=O
InChIInChI=1S/C11H13N3O4/c1-14-8(15)4-3-7(13-14)9(16)12-11(10(17)18)5-2-6-11/h3-4H,2,5-6H2,1H3,(H,12,16)(H,17,18)
InChIKeyNGXORAPZQNLTAN-UHFFFAOYSA-N
XLogP-0.48
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 81157763) is 1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid is Cn1nc(C(=O)NC2(C(=O)O)CCC2)ccc1=O.
What is the InChIKey of 1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is NGXORAPZQNLTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-14-8(15)4-3-7(13-14)9(16)12-11(10(17)18)5-2-6-11/h3-4H,2,5-6H2,1H3,(H,12,16)(H,17,18).
What are the key properties of 1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81157763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).