N-(2,6-dimethyl-3-oxopyridazin-4-yl)propanamide

C9H13N3O2 — CID 170388001

IUPACN-(2,6-dimethyl-3-oxopyridazin-4-yl)propanamide
SMILESCCC(=O)Nc1cc(C)nn(C)c1=O
InChIInChI=1S/C9H13N3O2/c1-4-8(13)10-7-5-6(2)11-12(3)9(7)14/h5H,4H2,1-3H3,(H,10,13)
InChIKeyKWOLQFFPHIXCRM-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.44
Rot. Bonds2

About N-(2,6-dimethyl-3-oxopyridazin-4-yl)propanamide

N-(2,6-dimethyl-3-oxopyridazin-4-yl)propanamide (PubChem CID 170388001) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-(2,6-dimethyl-3-oxopyridazin-4-yl)propanamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-3-oxopyridazin-4-yl)propanamide
PubChem CID170388001
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-(2,6-dimethyl-3-oxopyridazin-4-yl)propanamide
SMILESCCC(=O)Nc1cc(C)nn(C)c1=O
InChIInChI=1S/C9H13N3O2/c1-4-8(13)10-7-5-6(2)11-12(3)9(7)14/h5H,4H2,1-3H3,(H,10,13)
InChIKeyKWOLQFFPHIXCRM-UHFFFAOYSA-N
XLogP0.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-3-oxopyridazin-4-yl)propanamide?
The IUPAC name of N-(2,6-dimethyl-3-oxopyridazin-4-yl)propanamide (CID 170388001) is N-(2,6-dimethyl-3-oxopyridazin-4-yl)propanamide.
What is the SMILES notation for N-(2,6-dimethyl-3-oxopyridazin-4-yl)propanamide?
The canonical SMILES for N-(2,6-dimethyl-3-oxopyridazin-4-yl)propanamide is CCC(=O)Nc1cc(C)nn(C)c1=O.
What is the InChIKey of N-(2,6-dimethyl-3-oxopyridazin-4-yl)propanamide?
The InChIKey is KWOLQFFPHIXCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-4-8(13)10-7-5-6(2)11-12(3)9(7)14/h5H,4H2,1-3H3,(H,10,13).
What are the key properties of N-(2,6-dimethyl-3-oxopyridazin-4-yl)propanamide?
N-(2,6-dimethyl-3-oxopyridazin-4-yl)propanamide has a molecular weight of 195.22 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-3-oxopyridazin-4-yl)propanamide is sourced from PubChem (CID 170388001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).