5-hydroxy-2-methyl-4-propan-2-ylpyridazin-3-one

C8H12N2O2 — CID 164745597

IUPAC5-hydroxy-2-methyl-4-propan-2-ylpyridazin-3-one
SMILESCC(C)c1c(O)cnn(C)c1=O
InChIInChI=1S/C8H12N2O2/c1-5(2)7-6(11)4-9-10(3)8(7)12/h4-5,11H,1-3H3
InChIKeyPUVWUGDBYRLFAC-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.61
Rot. Bonds1

About 5-hydroxy-2-methyl-4-propan-2-ylpyridazin-3-one

5-hydroxy-2-methyl-4-propan-2-ylpyridazin-3-one (PubChem CID 164745597) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-4-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name5-hydroxy-2-methyl-4-propan-2-ylpyridazin-3-one
PubChem CID164745597
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-hydroxy-2-methyl-4-propan-2-ylpyridazin-3-one
SMILESCC(C)c1c(O)cnn(C)c1=O
InChIInChI=1S/C8H12N2O2/c1-5(2)7-6(11)4-9-10(3)8(7)12/h4-5,11H,1-3H3
InChIKeyPUVWUGDBYRLFAC-UHFFFAOYSA-N
XLogP0.61
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-4-propan-2-ylpyridazin-3-one?
The IUPAC name of 5-hydroxy-2-methyl-4-propan-2-ylpyridazin-3-one (CID 164745597) is 5-hydroxy-2-methyl-4-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 5-hydroxy-2-methyl-4-propan-2-ylpyridazin-3-one?
The canonical SMILES for 5-hydroxy-2-methyl-4-propan-2-ylpyridazin-3-one is CC(C)c1c(O)cnn(C)c1=O.
What is the InChIKey of 5-hydroxy-2-methyl-4-propan-2-ylpyridazin-3-one?
The InChIKey is PUVWUGDBYRLFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5(2)7-6(11)4-9-10(3)8(7)12/h4-5,11H,1-3H3.
What are the key properties of 5-hydroxy-2-methyl-4-propan-2-ylpyridazin-3-one?
5-hydroxy-2-methyl-4-propan-2-ylpyridazin-3-one has a molecular weight of 168.20 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-4-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 164745597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).