3-(2-propan-2-yloxyphenyl)-1H-pyridazin-6-one

C13H14N2O2 — CID 106519316

IUPAC3-(2-propan-2-yloxyphenyl)-1H-pyridazin-6-one
SMILESCC(C)Oc1ccccc1-c1ccc(=O)[nH]n1
InChIInChI=1S/C13H14N2O2/c1-9(2)17-12-6-4-3-5-10(12)11-7-8-13(16)15-14-11/h3-9H,1-2H3,(H,15,16)
InChIKeyLUXDTTPHLYJLNU-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.22
Rot. Bonds3

About 3-(2-propan-2-yloxyphenyl)-1H-pyridazin-6-one

3-(2-propan-2-yloxyphenyl)-1H-pyridazin-6-one (PubChem CID 106519316) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(2-propan-2-yloxyphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2-propan-2-yloxyphenyl)-1H-pyridazin-6-one
PubChem CID106519316
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-(2-propan-2-yloxyphenyl)-1H-pyridazin-6-one
SMILESCC(C)Oc1ccccc1-c1ccc(=O)[nH]n1
InChIInChI=1S/C13H14N2O2/c1-9(2)17-12-6-4-3-5-10(12)11-7-8-13(16)15-14-11/h3-9H,1-2H3,(H,15,16)
InChIKeyLUXDTTPHLYJLNU-UHFFFAOYSA-N
XLogP2.22
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(2-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]aniline
CID 54853323
3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1H-pyridazin-6-one
CID 21246134
5-(2-propan-2-yloxyphenyl)-1,3-dihydrobenzimidazol-2-one
CID 122656724
3-[4-(difluoromethoxy)-2-methoxyphenyl]-1H-pyridazin-6-one
CID 172780579
5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine
CID 68627887
2,5-bis(2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 3547520
4-propan-2-yloxyisoindole-1,3-dione
CID 22997019
4-ethoxy-2-(2-propan-2-yloxyphenyl)pyridine
CID 159838337
2-(2-propan-2-yloxyphenyl)-1,3-thiazole-5-carbaldehyde
CID 178133884
1-propan-2-yloxy-10H-anthracen-9-one
CID 22730975
3-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one
CID 106514741
2,2-bis[3,5-bis(2-propan-2-yloxyphenyl)pyrazol-1-yl]acetic acid
CID 102598668

Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-yloxyphenyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(2-propan-2-yloxyphenyl)-1H-pyridazin-6-one (CID 106519316) is 3-(2-propan-2-yloxyphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2-propan-2-yloxyphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(2-propan-2-yloxyphenyl)-1H-pyridazin-6-one is CC(C)Oc1ccccc1-c1ccc(=O)[nH]n1.
What is the InChIKey of 3-(2-propan-2-yloxyphenyl)-1H-pyridazin-6-one?
The InChIKey is LUXDTTPHLYJLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9(2)17-12-6-4-3-5-10(12)11-7-8-13(16)15-14-11/h3-9H,1-2H3,(H,15,16).
What are the key properties of 3-(2-propan-2-yloxyphenyl)-1H-pyridazin-6-one?
3-(2-propan-2-yloxyphenyl)-1H-pyridazin-6-one has a molecular weight of 230.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-yloxyphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 106519316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).