4-butyl-4H-pyridazin-5-one

C8H12N2O — CID 55270134

IUPAC4-butyl-4H-pyridazin-5-one
SMILESCCCCC1C=NN=CC1=O
InChIInChI=1S/C8H12N2O/c1-2-3-4-7-5-9-10-6-8(7)11/h5-7H,2-4H2,1H3
InChIKeyQNYLZZHJNAAOLY-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.43
Rot. Bonds3

About 4-butyl-4H-pyridazin-5-one

4-butyl-4H-pyridazin-5-one (PubChem CID 55270134) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-butyl-4H-pyridazin-5-one.

Molecular Properties

Compound Name4-butyl-4H-pyridazin-5-one
PubChem CID55270134
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name4-butyl-4H-pyridazin-5-one
SMILESCCCCC1C=NN=CC1=O
InChIInChI=1S/C8H12N2O/c1-2-3-4-7-5-9-10-6-8(7)11/h5-7H,2-4H2,1H3
InChIKeyQNYLZZHJNAAOLY-UHFFFAOYSA-N
XLogP1.43
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-4H-pyridazin-5-one?
The IUPAC name of 4-butyl-4H-pyridazin-5-one (CID 55270134) is 4-butyl-4H-pyridazin-5-one.
What is the SMILES notation for 4-butyl-4H-pyridazin-5-one?
The canonical SMILES for 4-butyl-4H-pyridazin-5-one is CCCCC1C=NN=CC1=O.
What is the InChIKey of 4-butyl-4H-pyridazin-5-one?
The InChIKey is QNYLZZHJNAAOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-3-4-7-5-9-10-6-8(7)11/h5-7H,2-4H2,1H3.
What are the key properties of 4-butyl-4H-pyridazin-5-one?
4-butyl-4H-pyridazin-5-one has a molecular weight of 152.20 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-4H-pyridazin-5-one is sourced from PubChem (CID 55270134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).