5-amino-4-[2-(dimethylamino)ethyl]-1H-pyridazin-6-one

C8H14N4O — CID 117127460

IUPAC5-amino-4-[2-(dimethylamino)ethyl]-1H-pyridazin-6-one
SMILESCN(C)CCc1cn[nH]c(=O)c1N
InChIInChI=1S/C8H14N4O/c1-12(2)4-3-6-5-10-11-8(13)7(6)9/h5H,3-4H2,1-2H3,(H2,9,10)(H,11,13)
InChIKeyUIGPHZIJKRYXJF-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.54
Rot. Bonds3

About 5-amino-4-[2-(dimethylamino)ethyl]-1H-pyridazin-6-one

5-amino-4-[2-(dimethylamino)ethyl]-1H-pyridazin-6-one (PubChem CID 117127460) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 5-amino-4-[2-(dimethylamino)ethyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-(dimethylamino)ethyl]-1H-pyridazin-6-one
PubChem CID117127460
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name5-amino-4-[2-(dimethylamino)ethyl]-1H-pyridazin-6-one
SMILESCN(C)CCc1cn[nH]c(=O)c1N
InChIInChI=1S/C8H14N4O/c1-12(2)4-3-6-5-10-11-8(13)7(6)9/h5H,3-4H2,1-2H3,(H2,9,10)(H,11,13)
InChIKeyUIGPHZIJKRYXJF-UHFFFAOYSA-N
XLogP-0.54
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-(dimethylamino)ethyl]-1H-pyridazin-6-one?
The IUPAC name of 5-amino-4-[2-(dimethylamino)ethyl]-1H-pyridazin-6-one (CID 117127460) is 5-amino-4-[2-(dimethylamino)ethyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-amino-4-[2-(dimethylamino)ethyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-amino-4-[2-(dimethylamino)ethyl]-1H-pyridazin-6-one is CN(C)CCc1cn[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[2-(dimethylamino)ethyl]-1H-pyridazin-6-one?
The InChIKey is UIGPHZIJKRYXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-12(2)4-3-6-5-10-11-8(13)7(6)9/h5H,3-4H2,1-2H3,(H2,9,10)(H,11,13).
What are the key properties of 5-amino-4-[2-(dimethylamino)ethyl]-1H-pyridazin-6-one?
5-amino-4-[2-(dimethylamino)ethyl]-1H-pyridazin-6-one has a molecular weight of 182.23 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-(dimethylamino)ethyl]-1H-pyridazin-6-one is sourced from PubChem (CID 117127460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).