4-methyl-2-(oxan-2-yl)pyridazin-3-one

C10H14N2O2 — CID 150149497

IUPAC4-methyl-2-(oxan-2-yl)pyridazin-3-one
SMILESCc1ccnn(C2CCCCO2)c1=O
InChIInChI=1S/C10H14N2O2/c1-8-5-6-11-12(10(8)13)9-4-2-3-7-14-9/h5-6,9H,2-4,7H2,1H3
InChIKeyFEYNILHFFHBEIJ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.25
Rot. Bonds1

About 4-methyl-2-(oxan-2-yl)pyridazin-3-one

4-methyl-2-(oxan-2-yl)pyridazin-3-one (PubChem CID 150149497) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-methyl-2-(oxan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-methyl-2-(oxan-2-yl)pyridazin-3-one
PubChem CID150149497
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4-methyl-2-(oxan-2-yl)pyridazin-3-one
SMILESCc1ccnn(C2CCCCO2)c1=O
InChIInChI=1S/C10H14N2O2/c1-8-5-6-11-12(10(8)13)9-4-2-3-7-14-9/h5-6,9H,2-4,7H2,1H3
InChIKeyFEYNILHFFHBEIJ-UHFFFAOYSA-N
XLogP1.25
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Oxan-2-yl)-4-(trifluoromethyl)pyridazin-3-one
CID 175860897
5-methoxy-2-(tetrahydro-2H-pyran-2-yl)-3(2H)-pyridazinone
CID 10560380
2-(Oxan-2-yl)pyridazin-3-one
CID 19421250
5-methyl-2-(oxan-2-yl)-4H-pyridazin-4-id-3-one;yttrium
CID 57919128
5-Methyl-2-(oxan-2-yl)pyridazin-3-one
CID 57919129
5-Iodo-2-(tetrahydro-2H-pyran-2-yl)pyridazin-3(2H)-one
CID 57919249
5-Hydroxy-2-(2-tetrahydropyranyl)pyridazin-3(2H)-one
CID 57950355
4-Bromo-2-(tetrahydro-2h-pyran-2-yl)pyridazin-3(2h)-one
CID 68758387
5-Chloro-2-(tetrahydropyran-2-yl)pyridazin-3(2H)-one
CID 69607165
5-Chloro-4-methyl-2-(tetrahydro-2H-pyran-2-YL)pyridazin-3(2H)-one
CID 90116122
4,5-Dimethyl-2-(oxan-2-yl)pyridazin-3-one
CID 123720595
4-Chloro-2-(oxan-2-yl)pyridazin-3-one
CID 141369661

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(oxan-2-yl)pyridazin-3-one?
The IUPAC name of 4-methyl-2-(oxan-2-yl)pyridazin-3-one (CID 150149497) is 4-methyl-2-(oxan-2-yl)pyridazin-3-one.
What is the SMILES notation for 4-methyl-2-(oxan-2-yl)pyridazin-3-one?
The canonical SMILES for 4-methyl-2-(oxan-2-yl)pyridazin-3-one is Cc1ccnn(C2CCCCO2)c1=O.
What is the InChIKey of 4-methyl-2-(oxan-2-yl)pyridazin-3-one?
The InChIKey is FEYNILHFFHBEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8-5-6-11-12(10(8)13)9-4-2-3-7-14-9/h5-6,9H,2-4,7H2,1H3.
What are the key properties of 4-methyl-2-(oxan-2-yl)pyridazin-3-one?
4-methyl-2-(oxan-2-yl)pyridazin-3-one has a molecular weight of 194.23 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(oxan-2-yl)pyridazin-3-one is sourced from PubChem (CID 150149497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).