5-chloro-4-(dimethylamino)-1H-pyridazin-6-one

C6H8ClN3O — CID 15488674

IUPAC5-chloro-4-(dimethylamino)-1H-pyridazin-6-one
SMILESCN(C)c1cn[nH]c(=O)c1Cl
InChIInChI=1S/C6H8ClN3O/c1-10(2)4-3-8-9-6(11)5(4)7/h3H,1-2H3,(H,9,11)
InChIKeyLVNWBVUKCGPUHT-UHFFFAOYSA-N
MW173.60 g/mol
LogP0.49
Rot. Bonds1

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

5-chloro-4-(dimethylamino)-1H-pyridazin-6-one (PubChem CID 15488674) has the molecular formula C6H8ClN3O and a molecular weight of 173.60 g/mol. Its IUPAC name is 5-chloro-4-(dimethylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-(dimethylamino)-1H-pyridazin-6-one
PubChem CID15488674
Molecular FormulaC6H8ClN3O
Molecular Weight173.60 g/mol
Exact Mass173.04
IUPAC Name5-chloro-4-(dimethylamino)-1H-pyridazin-6-one
SMILESCN(C)c1cn[nH]c(=O)c1Cl
InChIInChI=1S/C6H8ClN3O/c1-10(2)4-3-8-9-6(11)5(4)7/h3H,1-2H3,(H,9,11)
InChIKeyLVNWBVUKCGPUHT-UHFFFAOYSA-N
XLogP0.49
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(dimethylamino)-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-(dimethylamino)-1H-pyridazin-6-one (CID 15488674) is 5-chloro-4-(dimethylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-(dimethylamino)-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-(dimethylamino)-1H-pyridazin-6-one is CN(C)c1cn[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(dimethylamino)-1H-pyridazin-6-one?
The InChIKey is LVNWBVUKCGPUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O/c1-10(2)4-3-8-9-6(11)5(4)7/h3H,1-2H3,(H,9,11).
What are the key properties of 5-chloro-4-(dimethylamino)-1H-pyridazin-6-one?
5-chloro-4-(dimethylamino)-1H-pyridazin-6-one has a molecular weight of 173.60 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(dimethylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 15488674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).