2-ethyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one

C9H14N2O2 — CID 82442178

IUPAC2-ethyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one
SMILESCCn1nc(C(C)(C)O)ccc1=O
InChIInChI=1S/C9H14N2O2/c1-4-11-8(12)6-5-7(10-11)9(2,3)13/h5-6,13H,4H2,1-3H3
InChIKeyBTMAVTVDUADCIR-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.49
Rot. Bonds2

About 2-ethyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one

2-ethyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one (PubChem CID 82442178) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-ethyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one
PubChem CID82442178
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-ethyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one
SMILESCCn1nc(C(C)(C)O)ccc1=O
InChIInChI=1S/C9H14N2O2/c1-4-11-8(12)6-5-7(10-11)9(2,3)13/h5-6,13H,4H2,1-3H3
InChIKeyBTMAVTVDUADCIR-UHFFFAOYSA-N
XLogP0.49
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-Hydroxy-3-methylpent-1-ynyl)-2-propan-2-ylpyridazin-3-one
CID 69967008
6-(1-Hydroxyethenyl)-2-methylpyridazin-3-one
CID 139522180
5-Hydroxy-2-(3-methylbutyl)-6-propan-2-ylpyridazin-3-one
CID 142777716
2-Ethyl-6-propan-2-ylpyridazin-3-one
CID 146745776
6-(Hydroxymethyl)-2-propan-2-ylpyridazin-3-one
CID 156372809
5-Hydroxy-2-methyl-6-propan-2-ylpyridazin-3-one
CID 164745570
2-(3-Hydroxy-3-methylbutyl)-6-methylpyridazin-3-one
CID 79361714
6-(2-Hydroxypropan-2-yl)-2-methylpyridazin-3-one
CID 82442097
2-Ethyl-6-(hydroxymethyl)pyridazin-3-one
CID 82442156
6-Acetyl-2-ethylpyridazin-3-one
CID 82442230
6-(Hydroxymethyl)-2-propylpyridazin-3-one
CID 82442238
6-(2-Hydroxypropan-2-yl)-2-propylpyridazin-3-one
CID 82442260

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one?
The IUPAC name of 2-ethyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one (CID 82442178) is 2-ethyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one.
What is the SMILES notation for 2-ethyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one?
The canonical SMILES for 2-ethyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one is CCn1nc(C(C)(C)O)ccc1=O.
What is the InChIKey of 2-ethyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one?
The InChIKey is BTMAVTVDUADCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-11-8(12)6-5-7(10-11)9(2,3)13/h5-6,13H,4H2,1-3H3.
What are the key properties of 2-ethyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one?
2-ethyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one has a molecular weight of 182.22 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-hydroxypropan-2-yl)pyridazin-3-one is sourced from PubChem (CID 82442178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).