2-propyl-6-(pyrrolidine-1-carbonyl)pyridazin-3-one

C12H17N3O2 — CID 42162063

IUPAC2-propyl-6-(pyrrolidine-1-carbonyl)pyridazin-3-one
SMILESCCCn1nc(C(=O)N2CCCC2)ccc1=O
InChIInChI=1S/C12H17N3O2/c1-2-7-15-11(16)6-5-10(13-15)12(17)14-8-3-4-9-14/h5-6H,2-4,7-9H2,1H3
InChIKeyCDXFCHKGQCUHFB-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.89
Rot. Bonds3

About 2-propyl-6-(pyrrolidine-1-carbonyl)pyridazin-3-one

2-propyl-6-(pyrrolidine-1-carbonyl)pyridazin-3-one (PubChem CID 42162063) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-propyl-6-(pyrrolidine-1-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name2-propyl-6-(pyrrolidine-1-carbonyl)pyridazin-3-one
PubChem CID42162063
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-propyl-6-(pyrrolidine-1-carbonyl)pyridazin-3-one
SMILESCCCn1nc(C(=O)N2CCCC2)ccc1=O
InChIInChI=1S/C12H17N3O2/c1-2-7-15-11(16)6-5-10(13-15)12(17)14-8-3-4-9-14/h5-6H,2-4,7-9H2,1H3
InChIKeyCDXFCHKGQCUHFB-UHFFFAOYSA-N
XLogP0.89
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-6-(pyrrolidine-1-carbonyl)pyridazin-3-one?
The IUPAC name of 2-propyl-6-(pyrrolidine-1-carbonyl)pyridazin-3-one (CID 42162063) is 2-propyl-6-(pyrrolidine-1-carbonyl)pyridazin-3-one.
What is the SMILES notation for 2-propyl-6-(pyrrolidine-1-carbonyl)pyridazin-3-one?
The canonical SMILES for 2-propyl-6-(pyrrolidine-1-carbonyl)pyridazin-3-one is CCCn1nc(C(=O)N2CCCC2)ccc1=O.
What is the InChIKey of 2-propyl-6-(pyrrolidine-1-carbonyl)pyridazin-3-one?
The InChIKey is CDXFCHKGQCUHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-7-15-11(16)6-5-10(13-15)12(17)14-8-3-4-9-14/h5-6H,2-4,7-9H2,1H3.
What are the key properties of 2-propyl-6-(pyrrolidine-1-carbonyl)pyridazin-3-one?
2-propyl-6-(pyrrolidine-1-carbonyl)pyridazin-3-one has a molecular weight of 235.29 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-6-(pyrrolidine-1-carbonyl)pyridazin-3-one is sourced from PubChem (CID 42162063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).