6-amino-4,4-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide

C12H20N4O2 — CID 116786923

IUPAC6-amino-4,4-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide
SMILESCC(C)(CCN)CCC(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C12H20N4O2/c1-12(2,7-8-13)6-5-10(17)14-9-3-4-11(18)16-15-9/h3-4H,5-8,13H2,1-2H3,(H,16,18)(H,14,15,17)
InChIKeyOICGCFQPCMDCLS-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.86
Rot. Bonds6

About 6-amino-4,4-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide

6-amino-4,4-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide (PubChem CID 116786923) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-amino-4,4-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide.

Molecular Properties

Compound Name6-amino-4,4-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide
PubChem CID116786923
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name6-amino-4,4-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide
SMILESCC(C)(CCN)CCC(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C12H20N4O2/c1-12(2,7-8-13)6-5-10(17)14-9-3-4-11(18)16-15-9/h3-4H,5-8,13H2,1-2H3,(H,16,18)(H,14,15,17)
InChIKeyOICGCFQPCMDCLS-UHFFFAOYSA-N
XLogP0.86
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4,4-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide?
The IUPAC name of 6-amino-4,4-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide (CID 116786923) is 6-amino-4,4-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide.
What is the SMILES notation for 6-amino-4,4-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide?
The canonical SMILES for 6-amino-4,4-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide is CC(C)(CCN)CCC(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 6-amino-4,4-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide?
The InChIKey is OICGCFQPCMDCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-12(2,7-8-13)6-5-10(17)14-9-3-4-11(18)16-15-9/h3-4H,5-8,13H2,1-2H3,(H,16,18)(H,14,15,17).
What are the key properties of 6-amino-4,4-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide?
6-amino-4,4-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide has a molecular weight of 252.32 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4,4-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide is sourced from PubChem (CID 116786923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).