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

C8H13N3O2 — CID 12873559

IUPAC3-[2-hydroxypropyl(methyl)amino]-1H-pyridazin-6-one
SMILESCC(O)CN(C)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H13N3O2/c1-6(12)5-11(2)7-3-4-8(13)10-9-7/h3-4,6,12H,5H2,1-2H3,(H,10,13)
InChIKeyKDCCOCPGOZKUSM-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.41
Rot. Bonds3

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

3-[2-hydroxypropyl(methyl)amino]-1H-pyridazin-6-one (PubChem CID 12873559) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-[2-hydroxypropyl(methyl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-hydroxypropyl(methyl)amino]-1H-pyridazin-6-one
PubChem CID12873559
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-[2-hydroxypropyl(methyl)amino]-1H-pyridazin-6-one
SMILESCC(O)CN(C)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H13N3O2/c1-6(12)5-11(2)7-3-4-8(13)10-9-7/h3-4,6,12H,5H2,1-2H3,(H,10,13)
InChIKeyKDCCOCPGOZKUSM-UHFFFAOYSA-N
XLogP-0.41
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Ethyl(2-hydroxypropyl)amino)pyridazin-3(2H)-one
CID 71402925
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
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-[2-hydroxypropyl(methyl)amino]-1H-pyridazin-6-one?
The IUPAC name of 3-[2-hydroxypropyl(methyl)amino]-1H-pyridazin-6-one (CID 12873559) is 3-[2-hydroxypropyl(methyl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-hydroxypropyl(methyl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-hydroxypropyl(methyl)amino]-1H-pyridazin-6-one is CC(O)CN(C)c1ccc(=O)[nH]n1.
What is the InChIKey of 3-[2-hydroxypropyl(methyl)amino]-1H-pyridazin-6-one?
The InChIKey is KDCCOCPGOZKUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(12)5-11(2)7-3-4-8(13)10-9-7/h3-4,6,12H,5H2,1-2H3,(H,10,13).
What are the key properties of 3-[2-hydroxypropyl(methyl)amino]-1H-pyridazin-6-one?
3-[2-hydroxypropyl(methyl)amino]-1H-pyridazin-6-one has a molecular weight of 183.21 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxypropyl(methyl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 12873559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).