ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol;5-methyl-N-[2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C35H37F10N11O — CID 145221150

About ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol;5-methyl-N-[2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol;5-methyl-N-[2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 145221150) has the molecular formula C35H37F10N11O and a molecular weight of 817.74 g/mol. Its IUPAC name is ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol;5-methyl-N-[2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol;5-methyl-N-[2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 145221150
• Molecular Formula: C35H37F10N11O
• Molecular Weight: 817.74 g/mol
• Exact Mass: 817.30
• IUPAC Name: ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol;5-methyl-N-[2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• SMILES: CC.CC(C)(O)C(Nc1cc(C(F)(F)F)nc2ncnn12)c1ccc(C(F)(F)F)c(F)c1.Cc1cc(NC(c2ccc(C(F)(F)F)cn2)C(C)C)n2ncnc2n1
• InChI: InChI=1S/C17H14F7N5O.C16H17F3N6.C2H6/c1-15(2,30)13(8-3-4-9(10(18)5-8)16(19,20)21)28-12-6-11(17(22,23)24)27-14-25-7-26-29(12)14;1-9(2)14(12-5-4-11(7-20-12)16(17,18)19)24-13-6-10(3)23-15-21-8-22-25(13)15;1-2/h3-7,13,28,30H,1-2H3;4-9,14,24H,1-3H3;1-2H3
• InChIKey: ZUGOWDCWIALPMQ-UHFFFAOYSA-N
• XLogP: 8.91
• TPSA: 143.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	817.74
LogP ≤ 5	8.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol;5-methyl-N-[2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol;5-methyl-N-[2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 145221150) is ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol;5-methyl-N-[2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol;5-methyl-N-[2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol;5-methyl-N-[2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC.CC(C)(O)C(Nc1cc(C(F)(F)F)nc2ncnn12)c1ccc(C(F)(F)F)c(F)c1.Cc1cc(NC(c2ccc(C(F)(F)F)cn2)C(C)C)n2ncnc2n1.

What is the InChIKey of ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol;5-methyl-N-[2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is ZUGOWDCWIALPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F7N5O.C16H17F3N6.C2H6/c1-15(2,30)13(8-3-4-9(10(18)5-8)16(19,20)21)28-12-6-11(17(22,23)24)27-14-25-7-26-29(12)14;1-9(2)14(12-5-4-11(7-20-12)16(17,18)19)24-13-6-10(3)23-15-21-8-22-25(13)15;1-2/h3-7,13,28,30H,1-2H3;4-9,14,24H,1-3H3;1-2H3.

What are the key properties of ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol;5-methyl-N-[2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol;5-methyl-N-[2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 817.74 g/mol, XLogP of 8.91, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol;5-methyl-N-[2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 145221150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).