5-chloro-4-(N-ethylanilino)-1H-pyridazin-6-one

C12H12ClN3O — CID 82214020

IUPAC5-chloro-4-(N-ethylanilino)-1H-pyridazin-6-one
SMILESCCN(c1ccccc1)c1cn[nH]c(=O)c1Cl
InChIInChI=1S/C12H12ClN3O/c1-2-16(9-6-4-3-5-7-9)10-8-14-15-12(17)11(10)13/h3-8H,2H2,1H3,(H,15,17)
InChIKeyUVASXVLBKXOVHJ-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.58
Rot. Bonds3

About 5-chloro-4-(N-ethylanilino)-1H-pyridazin-6-one

5-chloro-4-(N-ethylanilino)-1H-pyridazin-6-one (PubChem CID 82214020) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 5-chloro-4-(N-ethylanilino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-(N-ethylanilino)-1H-pyridazin-6-one
PubChem CID82214020
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name5-chloro-4-(N-ethylanilino)-1H-pyridazin-6-one
SMILESCCN(c1ccccc1)c1cn[nH]c(=O)c1Cl
InChIInChI=1S/C12H12ClN3O/c1-2-16(9-6-4-3-5-7-9)10-8-14-15-12(17)11(10)13/h3-8H,2H2,1H3,(H,15,17)
InChIKeyUVASXVLBKXOVHJ-UHFFFAOYSA-N
XLogP2.58
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(N-ethylanilino)-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-(N-ethylanilino)-1H-pyridazin-6-one (CID 82214020) is 5-chloro-4-(N-ethylanilino)-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-(N-ethylanilino)-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-(N-ethylanilino)-1H-pyridazin-6-one is CCN(c1ccccc1)c1cn[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(N-ethylanilino)-1H-pyridazin-6-one?
The InChIKey is UVASXVLBKXOVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-2-16(9-6-4-3-5-7-9)10-8-14-15-12(17)11(10)13/h3-8H,2H2,1H3,(H,15,17).
What are the key properties of 5-chloro-4-(N-ethylanilino)-1H-pyridazin-6-one?
5-chloro-4-(N-ethylanilino)-1H-pyridazin-6-one has a molecular weight of 249.70 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(N-ethylanilino)-1H-pyridazin-6-one is sourced from PubChem (CID 82214020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).