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

C15H16FN5O2 — CID 126939017

IUPAC6-cyclopropyl-2-[4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1C1COCC1Nc1ncc(F)cn1
InChIInChI=1S/C15H16FN5O2/c16-10-5-17-15(18-6-10)19-12-7-23-8-13(12)21-14(22)4-3-11(20-21)9-1-2-9/h3-6,9,12-13H,1-2,7-8H2,(H,17,18,19)
InChIKeyYEQQSZRKOXGGJM-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.10
Rot. Bonds4

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

6-cyclopropyl-2-[4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one (PubChem CID 126939017) has the molecular formula C15H16FN5O2 and a molecular weight of 317.32 g/mol. Its IUPAC name is 6-cyclopropyl-2-[4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one
PubChem CID126939017
Molecular FormulaC15H16FN5O2
Molecular Weight317.32 g/mol
Exact Mass317.13
IUPAC Name6-cyclopropyl-2-[4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1C1COCC1Nc1ncc(F)cn1
InChIInChI=1S/C15H16FN5O2/c16-10-5-17-15(18-6-10)19-12-7-23-8-13(12)21-14(22)4-3-11(20-21)9-1-2-9/h3-6,9,12-13H,1-2,7-8H2,(H,17,18,19)
InChIKeyYEQQSZRKOXGGJM-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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Related Compounds

6-Cyclopropyl-2-{[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl}-2,3-dihydropyridazin-3-one
CID 126923499
6-Cyclopropyl-2-{4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl}-2,3-dihydropyridazin-3-one
CID 126935041
2-{4-[(5-Fluoropyrimidin-2-yl)amino]oxolan-3-yl}-6-methyl-2,3-dihydropyridazin-3-one
CID 126938817
2-{4-[(5-Fluoropyrimidin-4-yl)amino]oxolan-3-yl}-6-methyl-2,3-dihydropyridazin-3-one
CID 126938901
6-Cyclopropyl-2-(4-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}oxolan-3-yl)-2,3-dihydropyridazin-3-one
CID 126939021
6-Cyclopropyl-2-(4-{[6-(trifluoromethyl)pyrimidin-4-yl]amino}oxolan-3-yl)-2,3-dihydropyridazin-3-one
CID 126939054
6-Cyclopropyl-2-{4-[(5-fluoropyrimidin-4-yl)amino]oxolan-3-yl}-2,3-dihydropyridazin-3-one
CID 126939116
2-{4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl}-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-3-one
CID 126939246
2-(4-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}oxolan-3-yl)-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-3-one
CID 126939251
2-{4-[(5-fluoropyrimidin-4-yl)amino]oxolan-3-yl}-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-3-one
CID 126939350
2-{4-[(5-Fluoropyrimidin-2-yl)amino]oxolan-3-yl}-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 126939494
2-{4-[(5-Fluoropyrimidin-4-yl)amino]oxolan-3-yl}-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 126939611

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one (CID 126939017) is 6-cyclopropyl-2-[4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one is O=c1ccc(C2CC2)nn1C1COCC1Nc1ncc(F)cn1.
What is the InChIKey of 6-cyclopropyl-2-[4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one?
The InChIKey is YEQQSZRKOXGGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O2/c16-10-5-17-15(18-6-10)19-12-7-23-8-13(12)21-14(22)4-3-11(20-21)9-1-2-9/h3-6,9,12-13H,1-2,7-8H2,(H,17,18,19).
What are the key properties of 6-cyclopropyl-2-[4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one?
6-cyclopropyl-2-[4-[(5-fluoropyrimidin-2-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-2-yl)amino]oxolan-3-yl]pyridazin-3-one is sourced from PubChem (CID 126939017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).