N-(2-ethylhexyl)-6-oxo-1H-pyridazine-3-carboxamide

C13H21N3O2 — CID 46550329

IUPACN-(2-ethylhexyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCCCC(CC)CNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H21N3O2/c1-3-5-6-10(4-2)9-14-13(18)11-7-8-12(17)16-15-11/h7-8,10H,3-6,9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyHSHUFKIJFUIHIU-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.72
Rot. Bonds7

About N-(2-ethylhexyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(2-ethylhexyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 46550329) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-ethylhexyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID46550329
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(2-ethylhexyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCCCC(CC)CNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H21N3O2/c1-3-5-6-10(4-2)9-14-13(18)11-7-8-12(17)16-15-11/h7-8,10H,3-6,9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyHSHUFKIJFUIHIU-UHFFFAOYSA-N
XLogP1.72
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2-ethylhexyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 46550329) is N-(2-ethylhexyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-ethylhexyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2-ethylhexyl)-6-oxo-1H-pyridazine-3-carboxamide is CCCCC(CC)CNC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(2-ethylhexyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is HSHUFKIJFUIHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-5-6-10(4-2)9-14-13(18)11-7-8-12(17)16-15-11/h7-8,10H,3-6,9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of N-(2-ethylhexyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(2-ethylhexyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 46550329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).