3-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one

C13H12FN5O3 — CID 121017620

IUPAC3-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C13H12FN5O3/c14-8-5-15-13(16-6-8)22-9-3-4-19(7-9)12(21)10-1-2-11(20)18-17-10/h1-2,5-6,9H,3-4,7H2,(H,18,20)
InChIKeyTTXOILVVQCAXRX-UHFFFAOYSA-N
MW305.27 g/mol
LogP-0.01
Rot. Bonds3

About 3-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one

3-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 121017620) has the molecular formula C13H12FN5O3 and a molecular weight of 305.27 g/mol. Its IUPAC name is 3-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID121017620
Molecular FormulaC13H12FN5O3
Molecular Weight305.27 g/mol
Exact Mass305.09
IUPAC Name3-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C13H12FN5O3/c14-8-5-15-13(16-6-8)22-9-3-4-19(7-9)12(21)10-1-2-11(20)18-17-10/h1-2,5-6,9H,3-4,7H2,(H,18,20)
InChIKeyTTXOILVVQCAXRX-UHFFFAOYSA-N
XLogP-0.01
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one (CID 121017620) is 3-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one is O=C(c1ccc(=O)[nH]n1)N1CCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of 3-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is TTXOILVVQCAXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5O3/c14-8-5-15-13(16-6-8)22-9-3-4-19(7-9)12(21)10-1-2-11(20)18-17-10/h1-2,5-6,9H,3-4,7H2,(H,18,20).
What are the key properties of 3-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
3-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 305.27 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 121017620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).