N-cyclohexyl-2-(6-oxopyridazin-1-yl)propanamide

C13H19N3O2 — CID 45497096

IUPACN-cyclohexyl-2-(6-oxopyridazin-1-yl)propanamide
SMILESCC(C(=O)NC1CCCCC1)n1ncccc1=O
InChIInChI=1S/C13H19N3O2/c1-10(16-12(17)8-5-9-14-16)13(18)15-11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,15,18)
InChIKeyNXZNNHNEDDVHLS-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.25
Rot. Bonds3

About N-cyclohexyl-2-(6-oxopyridazin-1-yl)propanamide

N-cyclohexyl-2-(6-oxopyridazin-1-yl)propanamide (PubChem CID 45497096) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-cyclohexyl-2-(6-oxopyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(6-oxopyridazin-1-yl)propanamide
PubChem CID45497096
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-cyclohexyl-2-(6-oxopyridazin-1-yl)propanamide
SMILESCC(C(=O)NC1CCCCC1)n1ncccc1=O
InChIInChI=1S/C13H19N3O2/c1-10(16-12(17)8-5-9-14-16)13(18)15-11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,15,18)
InChIKeyNXZNNHNEDDVHLS-UHFFFAOYSA-N
XLogP1.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(6-oxopyridazin-1-yl)propanamide?
The IUPAC name of N-cyclohexyl-2-(6-oxopyridazin-1-yl)propanamide (CID 45497096) is N-cyclohexyl-2-(6-oxopyridazin-1-yl)propanamide.
What is the SMILES notation for N-cyclohexyl-2-(6-oxopyridazin-1-yl)propanamide?
The canonical SMILES for N-cyclohexyl-2-(6-oxopyridazin-1-yl)propanamide is CC(C(=O)NC1CCCCC1)n1ncccc1=O.
What is the InChIKey of N-cyclohexyl-2-(6-oxopyridazin-1-yl)propanamide?
The InChIKey is NXZNNHNEDDVHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10(16-12(17)8-5-9-14-16)13(18)15-11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,15,18).
What are the key properties of N-cyclohexyl-2-(6-oxopyridazin-1-yl)propanamide?
N-cyclohexyl-2-(6-oxopyridazin-1-yl)propanamide has a molecular weight of 249.31 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(6-oxopyridazin-1-yl)propanamide is sourced from PubChem (CID 45497096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).