2-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)pyridazin-3-one

C13H19N3O3 — CID 55131725

IUPAC2-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)pyridazin-3-one
SMILESCCCCn1nc(C(=O)N2CCC(O)C2)ccc1=O
InChIInChI=1S/C13H19N3O3/c1-2-3-7-16-12(18)5-4-11(14-16)13(19)15-8-6-10(17)9-15/h4-5,10,17H,2-3,6-9H2,1H3
InChIKeyIHSSPWNSSNBNSI-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.25
Rot. Bonds4

About 2-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)pyridazin-3-one

2-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)pyridazin-3-one (PubChem CID 55131725) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)pyridazin-3-one
PubChem CID55131725
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)pyridazin-3-one
SMILESCCCCn1nc(C(=O)N2CCC(O)C2)ccc1=O
InChIInChI=1S/C13H19N3O3/c1-2-3-7-16-12(18)5-4-11(14-16)13(19)15-8-6-10(17)9-15/h4-5,10,17H,2-3,6-9H2,1H3
InChIKeyIHSSPWNSSNBNSI-UHFFFAOYSA-N
XLogP0.25
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)pyridazin-3-one?
The IUPAC name of 2-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)pyridazin-3-one (CID 55131725) is 2-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)pyridazin-3-one.
What is the SMILES notation for 2-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)pyridazin-3-one?
The canonical SMILES for 2-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)pyridazin-3-one is CCCCn1nc(C(=O)N2CCC(O)C2)ccc1=O.
What is the InChIKey of 2-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)pyridazin-3-one?
The InChIKey is IHSSPWNSSNBNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-3-7-16-12(18)5-4-11(14-16)13(19)15-8-6-10(17)9-15/h4-5,10,17H,2-3,6-9H2,1H3.
What are the key properties of 2-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)pyridazin-3-one?
2-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)pyridazin-3-one has a molecular weight of 265.31 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-(3-hydroxypyrrolidine-1-carbonyl)pyridazin-3-one is sourced from PubChem (CID 55131725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).