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

C16H16F3N5O2 — CID 126939054

IUPAC6-cyclopropyl-2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxolan-3-yl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1C1COCC1Nc1cc(C(F)(F)F)ncn1
InChIInChI=1S/C16H16F3N5O2/c17-16(18,19)13-5-14(21-8-20-13)22-11-6-26-7-12(11)24-15(25)4-3-10(23-24)9-1-2-9/h3-5,8-9,11-12H,1-2,6-7H2,(H,20,21,22)
InChIKeyZTAWKHCOHVDQKD-UHFFFAOYSA-N
MW367.33 g/mol
LogP1.98
Rot. Bonds4

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

6-cyclopropyl-2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxolan-3-yl]pyridazin-3-one (PubChem CID 126939054) has the molecular formula C16H16F3N5O2 and a molecular weight of 367.33 g/mol. Its IUPAC name is 6-cyclopropyl-2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxolan-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxolan-3-yl]pyridazin-3-one
PubChem CID126939054
Molecular FormulaC16H16F3N5O2
Molecular Weight367.33 g/mol
Exact Mass367.13
IUPAC Name6-cyclopropyl-2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxolan-3-yl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1C1COCC1Nc1cc(C(F)(F)F)ncn1
InChIInChI=1S/C16H16F3N5O2/c17-16(18,19)13-5-14(21-8-20-13)22-11-6-26-7-12(11)24-15(25)4-3-10(23-24)9-1-2-9/h3-5,8-9,11-12H,1-2,6-7H2,(H,20,21,22)
InChIKeyZTAWKHCOHVDQKD-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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Related Compounds

6-Cyclopropyl-2-({1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl}methyl)-2,3-dihydropyridazin-3-one
CID 126923564
6-Cyclopropyl-2-(4-{[6-(trifluoromethyl)pyrimidin-4-yl]amino}cyclohexyl)-2,3-dihydropyridazin-3-one
CID 126935081
2-(4-{[4-(Trifluoromethyl)pyrimidin-2-yl]amino}oxolan-3-yl)-2,3-dihydropyridazin-3-one
CID 126938667
2-(4-{[6-(Trifluoromethyl)pyrimidin-4-yl]amino}oxolan-3-yl)-2,3-dihydropyridazin-3-one
CID 126938686
6-Methyl-2-(4-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}oxolan-3-yl)-2,3-dihydropyridazin-3-one
CID 126938821
6-Methyl-2-(4-{[6-(trifluoromethyl)pyrimidin-4-yl]amino}oxolan-3-yl)-2,3-dihydropyridazin-3-one
CID 126938852
6-Cyclopropyl-2-{4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl}-2,3-dihydropyridazin-3-one
CID 126939017
6-Cyclopropyl-2-(4-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}oxolan-3-yl)-2,3-dihydropyridazin-3-one
CID 126939021
6-Cyclopropyl-2-{4-[(5-fluoropyrimidin-4-yl)amino]oxolan-3-yl}-2,3-dihydropyridazin-3-one
CID 126939116
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-{[6-(trifluoromethyl)pyrimidin-4-yl]amino}oxolan-3-yl)-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-3-one
CID 126939284
2-(4-{[4-(Trifluoromethyl)pyrimidin-2-yl]amino}oxolan-3-yl)-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 126939500

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxolan-3-yl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxolan-3-yl]pyridazin-3-one (CID 126939054) is 6-cyclopropyl-2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxolan-3-yl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxolan-3-yl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxolan-3-yl]pyridazin-3-one is O=c1ccc(C2CC2)nn1C1COCC1Nc1cc(C(F)(F)F)ncn1.
What is the InChIKey of 6-cyclopropyl-2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxolan-3-yl]pyridazin-3-one?
The InChIKey is ZTAWKHCOHVDQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O2/c17-16(18,19)13-5-14(21-8-20-13)22-11-6-26-7-12(11)24-15(25)4-3-10(23-24)9-1-2-9/h3-5,8-9,11-12H,1-2,6-7H2,(H,20,21,22).
What are the key properties of 6-cyclopropyl-2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxolan-3-yl]pyridazin-3-one?
6-cyclopropyl-2-[4-[[6-(trifluoromethyl)pyrimidin-4-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-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxolan-3-yl]pyridazin-3-one is sourced from PubChem (CID 126939054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).