3-[ethyl(2-hydroxypropyl)amino]-1H-pyridazin-6-one

C9H15N3O2 — CID 71402925

IUPAC3-[ethyl(2-hydroxypropyl)amino]-1H-pyridazin-6-one
SMILESCCN(CC(C)O)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H15N3O2/c1-3-12(6-7(2)13)8-4-5-9(14)11-10-8/h4-5,7,13H,3,6H2,1-2H3,(H,11,14)
InChIKeyKCDZBAXMUJUMSO-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.02
Rot. Bonds4

About 3-[ethyl(2-hydroxypropyl)amino]-1H-pyridazin-6-one

3-[ethyl(2-hydroxypropyl)amino]-1H-pyridazin-6-one (PubChem CID 71402925) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-[ethyl(2-hydroxypropyl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[ethyl(2-hydroxypropyl)amino]-1H-pyridazin-6-one
PubChem CID71402925
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-[ethyl(2-hydroxypropyl)amino]-1H-pyridazin-6-one
SMILESCCN(CC(C)O)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H15N3O2/c1-3-12(6-7(2)13)8-4-5-9(14)11-10-8/h4-5,7,13H,3,6H2,1-2H3,(H,11,14)
InChIKeyKCDZBAXMUJUMSO-UHFFFAOYSA-N
XLogP-0.02
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[bis(2-hydroxyethyl)amino]-1H-pyridazin-6-one
CID 17978922
6-(4-Hydroxypiperidin-1-yl)pyridazin-3-ol
CID 86721992
3-(3-methoxyazetidin-1-yl)-1H-pyridazin-6-one
CID 176310837
3-[2-hydroxypropyl(methyl)amino]-1H-pyridazin-6-one
CID 12873559
N-(2-Methoxyethyl)-N-(6-oxo-1,6-dihydropyridazin-3-yl)acetamide
CID 13274975
6-((2-Hydroxyethyl)amino)pyridazin-3(2H)-one
CID 71322666
3-[[(2S)-2-hydroxypropyl]amino]-1H-pyridazin-6-one
CID 94830613
3-[[(2R)-2-hydroxypropyl]amino]-1H-pyridazin-6-one
CID 94830614
6-((2-Hydroxyethyl)(methyl)amino)pyridazin-3-ol
CID 94830616
1-(2-hydroxypropyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887342
1-ethyl-1-(2-hydroxyethyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887374
6-Amino-2-(2-hydroxypropyl)pyridazin-3-one
CID 116788248

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-hydroxypropyl)amino]-1H-pyridazin-6-one?
The IUPAC name of 3-[ethyl(2-hydroxypropyl)amino]-1H-pyridazin-6-one (CID 71402925) is 3-[ethyl(2-hydroxypropyl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[ethyl(2-hydroxypropyl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 3-[ethyl(2-hydroxypropyl)amino]-1H-pyridazin-6-one is CCN(CC(C)O)c1ccc(=O)[nH]n1.
What is the InChIKey of 3-[ethyl(2-hydroxypropyl)amino]-1H-pyridazin-6-one?
The InChIKey is KCDZBAXMUJUMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-12(6-7(2)13)8-4-5-9(14)11-10-8/h4-5,7,13H,3,6H2,1-2H3,(H,11,14).
What are the key properties of 3-[ethyl(2-hydroxypropyl)amino]-1H-pyridazin-6-one?
3-[ethyl(2-hydroxypropyl)amino]-1H-pyridazin-6-one has a molecular weight of 197.24 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-hydroxypropyl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 71402925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).