4-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1H-pyridazin-6-one

C13H18N4O2 — CID 110196817

IUPAC4-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1H-pyridazin-6-one
SMILESO=C(C1CCN(c2cn[nH]c(=O)c2)C1)N1CCCC1
InChIInChI=1S/C13H18N4O2/c18-12-7-11(8-14-15-12)17-6-3-10(9-17)13(19)16-4-1-2-5-16/h7-8,10H,1-6,9H2,(H,15,18)
InChIKeyJYOJSUNTALSBBI-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.22
Rot. Bonds2

About 4-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1H-pyridazin-6-one

4-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1H-pyridazin-6-one (PubChem CID 110196817) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1H-pyridazin-6-one
PubChem CID110196817
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1H-pyridazin-6-one
SMILESO=C(C1CCN(c2cn[nH]c(=O)c2)C1)N1CCCC1
InChIInChI=1S/C13H18N4O2/c18-12-7-11(8-14-15-12)17-6-3-10(9-17)13(19)16-4-1-2-5-16/h7-8,10H,1-6,9H2,(H,15,18)
InChIKeyJYOJSUNTALSBBI-UHFFFAOYSA-N
XLogP0.22
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 4-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1H-pyridazin-6-one (CID 110196817) is 4-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 4-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1H-pyridazin-6-one is O=C(C1CCN(c2cn[nH]c(=O)c2)C1)N1CCCC1.
What is the InChIKey of 4-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1H-pyridazin-6-one?
The InChIKey is JYOJSUNTALSBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-12-7-11(8-14-15-12)17-6-3-10(9-17)13(19)16-4-1-2-5-16/h7-8,10H,1-6,9H2,(H,15,18).
What are the key properties of 4-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1H-pyridazin-6-one?
4-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1H-pyridazin-6-one has a molecular weight of 262.31 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 110196817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).