3-pyridazin-4-ylpropanamide

C7H9N3O — CID 69249466

IUPAC3-pyridazin-4-ylpropanamide
SMILESNC(=O)CCc1ccnnc1
InChIInChI=1S/C7H9N3O/c8-7(11)2-1-6-3-4-9-10-5-6/h3-5H,1-2H2,(H2,8,11)
InChIKeyXNMSRIITVLYFHL-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.11
Rot. Bonds3

About 3-pyridazin-4-ylpropanamide

3-pyridazin-4-ylpropanamide (PubChem CID 69249466) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 3-pyridazin-4-ylpropanamide.

Molecular Properties

Compound Name3-pyridazin-4-ylpropanamide
PubChem CID69249466
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name3-pyridazin-4-ylpropanamide
SMILESNC(=O)CCc1ccnnc1
InChIInChI=1S/C7H9N3O/c8-7(11)2-1-6-3-4-9-10-5-6/h3-5H,1-2H2,(H2,8,11)
InChIKeyXNMSRIITVLYFHL-UHFFFAOYSA-N
XLogP-0.11
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridazin-4-ylpropanamide?
The IUPAC name of 3-pyridazin-4-ylpropanamide (CID 69249466) is 3-pyridazin-4-ylpropanamide.
What is the SMILES notation for 3-pyridazin-4-ylpropanamide?
The canonical SMILES for 3-pyridazin-4-ylpropanamide is NC(=O)CCc1ccnnc1.
What is the InChIKey of 3-pyridazin-4-ylpropanamide?
The InChIKey is XNMSRIITVLYFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c8-7(11)2-1-6-3-4-9-10-5-6/h3-5H,1-2H2,(H2,8,11).
What are the key properties of 3-pyridazin-4-ylpropanamide?
3-pyridazin-4-ylpropanamide has a molecular weight of 151.17 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridazin-4-ylpropanamide is sourced from PubChem (CID 69249466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).