6-cyclopropyl-2-[4-[(5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one

C15H16FN5O2 — CID 126939116

IUPAC6-cyclopropyl-2-[4-[(5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1C1COCC1Nc1ncncc1F
InChIInChI=1S/C15H16FN5O2/c16-10-5-17-8-18-15(10)19-12-6-23-7-13(12)21-14(22)4-3-11(20-21)9-1-2-9/h3-5,8-9,12-13H,1-2,6-7H2,(H,17,18,19)
InChIKeyVGIVSYRUKGTOAB-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.10
Rot. Bonds4

About 6-cyclopropyl-2-[4-[(5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one

6-cyclopropyl-2-[4-[(5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one (PubChem CID 126939116) has the molecular formula C15H16FN5O2 and a molecular weight of 317.32 g/mol. Its IUPAC name is 6-cyclopropyl-2-[4-[(5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[4-[(5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one
PubChem CID126939116
Molecular FormulaC15H16FN5O2
Molecular Weight317.32 g/mol
Exact Mass317.13
IUPAC Name6-cyclopropyl-2-[4-[(5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1C1COCC1Nc1ncncc1F
InChIInChI=1S/C15H16FN5O2/c16-10-5-17-8-18-15(10)19-12-6-23-7-13(12)21-14(22)4-3-11(20-21)9-1-2-9/h3-5,8-9,12-13H,1-2,6-7H2,(H,17,18,19)
InChIKeyVGIVSYRUKGTOAB-UHFFFAOYSA-N
XLogP1.10
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[4-[(5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[4-[(5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one (CID 126939116) is 6-cyclopropyl-2-[4-[(5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[4-[(5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[4-[(5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one is O=c1ccc(C2CC2)nn1C1COCC1Nc1ncncc1F.
What is the InChIKey of 6-cyclopropyl-2-[4-[(5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one?
The InChIKey is VGIVSYRUKGTOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O2/c16-10-5-17-8-18-15(10)19-12-6-23-7-13(12)21-14(22)4-3-11(20-21)9-1-2-9/h3-5,8-9,12-13H,1-2,6-7H2,(H,17,18,19).
What are the key properties of 6-cyclopropyl-2-[4-[(5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one?
6-cyclopropyl-2-[4-[(5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one has a molecular weight of 317.32 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[4-[(5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one is sourced from PubChem (CID 126939116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).