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

C10H14N2O2 — CID 139772212

IUPAC2-(2-methyl-4-oxopentan-3-yl)pyridazin-3-one
SMILESCC(=O)C(C(C)C)n1ncccc1=O
InChIInChI=1S/C10H14N2O2/c1-7(2)10(8(3)13)12-9(14)5-4-6-11-12/h4-7,10H,1-3H3
InChIKeyLHZQUTCPNAUSPD-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.03
Rot. Bonds3

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

2-(2-methyl-4-oxopentan-3-yl)pyridazin-3-one (PubChem CID 139772212) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(2-methyl-4-oxopentan-3-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-methyl-4-oxopentan-3-yl)pyridazin-3-one
PubChem CID139772212
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(2-methyl-4-oxopentan-3-yl)pyridazin-3-one
SMILESCC(=O)C(C(C)C)n1ncccc1=O
InChIInChI=1S/C10H14N2O2/c1-7(2)10(8(3)13)12-9(14)5-4-6-11-12/h4-7,10H,1-3H3
InChIKeyLHZQUTCPNAUSPD-UHFFFAOYSA-N
XLogP1.03
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-oxopentan-3-yl)pyridazin-3-one?
The IUPAC name of 2-(2-methyl-4-oxopentan-3-yl)pyridazin-3-one (CID 139772212) is 2-(2-methyl-4-oxopentan-3-yl)pyridazin-3-one.
What is the SMILES notation for 2-(2-methyl-4-oxopentan-3-yl)pyridazin-3-one?
The canonical SMILES for 2-(2-methyl-4-oxopentan-3-yl)pyridazin-3-one is CC(=O)C(C(C)C)n1ncccc1=O.
What is the InChIKey of 2-(2-methyl-4-oxopentan-3-yl)pyridazin-3-one?
The InChIKey is LHZQUTCPNAUSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(2)10(8(3)13)12-9(14)5-4-6-11-12/h4-7,10H,1-3H3.
What are the key properties of 2-(2-methyl-4-oxopentan-3-yl)pyridazin-3-one?
2-(2-methyl-4-oxopentan-3-yl)pyridazin-3-one has a molecular weight of 194.23 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-oxopentan-3-yl)pyridazin-3-one is sourced from PubChem (CID 139772212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).