2-(4-methyl-2-oxopentyl)pyridazin-3-one

C10H14N2O2 — CID 139772201

IUPAC2-(4-methyl-2-oxopentyl)pyridazin-3-one
SMILESCC(C)CC(=O)Cn1ncccc1=O
InChIInChI=1S/C10H14N2O2/c1-8(2)6-9(13)7-12-10(14)4-3-5-11-12/h3-5,8H,6-7H2,1-2H3
InChIKeyDIGUGXKKEKAHOK-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.86
Rot. Bonds4

About 2-(4-methyl-2-oxopentyl)pyridazin-3-one

2-(4-methyl-2-oxopentyl)pyridazin-3-one (PubChem CID 139772201) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(4-methyl-2-oxopentyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(4-methyl-2-oxopentyl)pyridazin-3-one
PubChem CID139772201
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(4-methyl-2-oxopentyl)pyridazin-3-one
SMILESCC(C)CC(=O)Cn1ncccc1=O
InChIInChI=1S/C10H14N2O2/c1-8(2)6-9(13)7-12-10(14)4-3-5-11-12/h3-5,8H,6-7H2,1-2H3
InChIKeyDIGUGXKKEKAHOK-UHFFFAOYSA-N
XLogP0.86
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxopentyl)pyridazin-3-one?
The IUPAC name of 2-(4-methyl-2-oxopentyl)pyridazin-3-one (CID 139772201) is 2-(4-methyl-2-oxopentyl)pyridazin-3-one.
What is the SMILES notation for 2-(4-methyl-2-oxopentyl)pyridazin-3-one?
The canonical SMILES for 2-(4-methyl-2-oxopentyl)pyridazin-3-one is CC(C)CC(=O)Cn1ncccc1=O.
What is the InChIKey of 2-(4-methyl-2-oxopentyl)pyridazin-3-one?
The InChIKey is DIGUGXKKEKAHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8(2)6-9(13)7-12-10(14)4-3-5-11-12/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 2-(4-methyl-2-oxopentyl)pyridazin-3-one?
2-(4-methyl-2-oxopentyl)pyridazin-3-one has a molecular weight of 194.23 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxopentyl)pyridazin-3-one is sourced from PubChem (CID 139772201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).