6-cyclopropyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one

C16H16F3N5O2 — CID 126939021

IUPAC6-cyclopropyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1C1COCC1Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C16H16F3N5O2/c17-16(18,19)13-5-6-20-15(22-13)21-11-7-26-8-12(11)24-14(25)4-3-10(23-24)9-1-2-9/h3-6,9,11-12H,1-2,7-8H2,(H,20,21,22)
InChIKeyKLNSVAAJMNGBDT-UHFFFAOYSA-N
MW367.33 g/mol
LogP1.98
Rot. Bonds4

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

6-cyclopropyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one (PubChem CID 126939021) has the molecular formula C16H16F3N5O2 and a molecular weight of 367.33 g/mol. Its IUPAC name is 6-cyclopropyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one
PubChem CID126939021
Molecular FormulaC16H16F3N5O2
Molecular Weight367.33 g/mol
Exact Mass367.13
IUPAC Name6-cyclopropyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1C1COCC1Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C16H16F3N5O2/c17-16(18,19)13-5-6-20-15(22-13)21-11-7-26-8-12(11)24-14(25)4-3-10(23-24)9-1-2-9/h3-6,9,11-12H,1-2,7-8H2,(H,20,21,22)
InChIKeyKLNSVAAJMNGBDT-UHFFFAOYSA-N
XLogP1.98
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 51.98
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-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one (CID 126939021) is 6-cyclopropyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one is O=c1ccc(C2CC2)nn1C1COCC1Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of 6-cyclopropyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one?
The InChIKey is KLNSVAAJMNGBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O2/c17-16(18,19)13-5-6-20-15(22-13)21-11-7-26-8-12(11)24-14(25)4-3-10(23-24)9-1-2-9/h3-6,9,11-12H,1-2,7-8H2,(H,20,21,22).
What are the key properties of 6-cyclopropyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one?
6-cyclopropyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one has a molecular weight of 367.33 g/mol, XLogP of 1.98, 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-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one is sourced from PubChem (CID 126939021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).