N-pyridazin-4-ylpropanamide

C7H9N3O — CID 130249251

IUPACN-pyridazin-4-ylpropanamide
SMILESCCC(=O)Nc1ccnnc1
InChIInChI=1S/C7H9N3O/c1-2-7(11)10-6-3-4-8-9-5-6/h3-5H,2H2,1H3,(H,8,10,11)
InChIKeyQGCSZLSVWIOIRJ-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.83
Rot. Bonds2

About N-pyridazin-4-ylpropanamide

N-pyridazin-4-ylpropanamide (PubChem CID 130249251) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is N-pyridazin-4-ylpropanamide.

Molecular Properties

Compound NameN-pyridazin-4-ylpropanamide
PubChem CID130249251
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC NameN-pyridazin-4-ylpropanamide
SMILESCCC(=O)Nc1ccnnc1
InChIInChI=1S/C7H9N3O/c1-2-7(11)10-6-3-4-8-9-5-6/h3-5H,2H2,1H3,(H,8,10,11)
InChIKeyQGCSZLSVWIOIRJ-UHFFFAOYSA-N
XLogP0.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pyridazin-4-ylpropanamide?
The IUPAC name of N-pyridazin-4-ylpropanamide (CID 130249251) is N-pyridazin-4-ylpropanamide.
What is the SMILES notation for N-pyridazin-4-ylpropanamide?
The canonical SMILES for N-pyridazin-4-ylpropanamide is CCC(=O)Nc1ccnnc1.
What is the InChIKey of N-pyridazin-4-ylpropanamide?
The InChIKey is QGCSZLSVWIOIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-2-7(11)10-6-3-4-8-9-5-6/h3-5H,2H2,1H3,(H,8,10,11).
What are the key properties of N-pyridazin-4-ylpropanamide?
N-pyridazin-4-ylpropanamide has a molecular weight of 151.17 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridazin-4-ylpropanamide is sourced from PubChem (CID 130249251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).