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

C12H17N3O4 — CID 81362942

IUPAC1-[[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCN1N=C(C(=O)NCC2(C(=O)O)CCC2)CCC1=O
InChIInChI=1S/C12H17N3O4/c1-15-9(16)4-3-8(14-15)10(17)13-7-12(11(18)19)5-2-6-12/h2-7H2,1H3,(H,13,17)(H,18,19)
InChIKeyHJZFXPRLLHCJFX-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.03
Rot. Bonds4

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

1-[[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 81362942) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-[[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID81362942
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name1-[[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCN1N=C(C(=O)NCC2(C(=O)O)CCC2)CCC1=O
InChIInChI=1S/C12H17N3O4/c1-15-9(16)4-3-8(14-15)10(17)13-7-12(11(18)19)5-2-6-12/h2-7H2,1H3,(H,13,17)(H,18,19)
InChIKeyHJZFXPRLLHCJFX-UHFFFAOYSA-N
XLogP-0.03
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.03
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]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid (CID 81362942) is 1-[[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid is CN1N=C(C(=O)NCC2(C(=O)O)CCC2)CCC1=O.
What is the InChIKey of 1-[[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is HJZFXPRLLHCJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-15-9(16)4-3-8(14-15)10(17)13-7-12(11(18)19)5-2-6-12/h2-7H2,1H3,(H,13,17)(H,18,19).
What are the key properties of 1-[[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
1-[[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of -0.03, 4 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]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81362942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).