2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one

C18H20F3N5O2 — CID 126936053

About 2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one

2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one (PubChem CID 126936053) has the molecular formula C18H20F3N5O2 and a molecular weight of 395.39 g/mol. Its IUPAC name is 2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one.

Molecular Properties

• Compound Name: 2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
• PubChem CID: 126936053
• Molecular Formula: C18H20F3N5O2
• Molecular Weight: 395.39 g/mol
• Exact Mass: 395.16
• IUPAC Name: 2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
• SMILES: O=c1cc2c(nn1C1CCC(Nc3cc(C(F)(F)F)ncn3)CC1)CCOC2
• InChI: InChI=1S/C18H20F3N5O2/c19-18(20,21)15-8-16(23-10-22-15)24-12-1-3-13(4-2-12)26-17(27)7-11-9-28-6-5-14(11)25-26/h7-8,10,12-13H,1-6,9H2,(H,22,23,24)
• InChIKey: WRUAZLZGKXNRTK-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.39
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?

The IUPAC name of 2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one (CID 126936053) is 2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one.

What is the SMILES notation for 2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?

The canonical SMILES for 2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one is O=c1cc2c(nn1C1CCC(Nc3cc(C(F)(F)F)ncn3)CC1)CCOC2.

What is the InChIKey of 2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?

The InChIKey is WRUAZLZGKXNRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O2/c19-18(20,21)15-8-16(23-10-22-15)24-12-1-3-13(4-2-12)26-17(27)7-11-9-28-6-5-14(11)25-26/h7-8,10,12-13H,1-6,9H2,(H,22,23,24).

What are the key properties of 2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?

2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one has a molecular weight of 395.39 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one is sourced from PubChem (CID 126936053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).