(1R)-1-[(5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-[2-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol

C19H19F4N5O2 — CID 134611455

About (1R)-1-[(5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-[2-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol

(1R)-1-[(5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-[2-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol (PubChem CID 134611455) has the molecular formula C19H19F4N5O2 and a molecular weight of 425.39 g/mol. Its IUPAC name is (1R)-1-[(5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-[2-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: (1R)-1-[(5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-[2-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol
• PubChem CID: 134611455
• Molecular Formula: C19H19F4N5O2
• Molecular Weight: 425.39 g/mol
• Exact Mass: 425.15
• IUPAC Name: (1R)-1-[(5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-[2-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol
• SMILES: CC(C)(O)[C@H](Nc1cc(C2CC2)nc2ncnn12)c1ccc(OC(F)(F)F)cc1F
• InChI: InChI=1S/C19H19F4N5O2/c1-18(2,29)16(12-6-5-11(7-13(12)20)30-19(21,22)23)27-15-8-14(10-3-4-10)26-17-24-9-25-28(15)17/h5-10,16,27,29H,3-4H2,1-2H3/t16-/m1/s1
• InChIKey: BZQQEFZNXNAJPT-MRXNPFEDSA-N
• XLogP: 3.96
• TPSA: 84.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.39
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-[2-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol?

The IUPAC name of (1R)-1-[(5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-[2-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol (CID 134611455) is (1R)-1-[(5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-[2-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol.

What is the SMILES notation for (1R)-1-[(5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-[2-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol?

The canonical SMILES for (1R)-1-[(5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-[2-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol is CC(C)(O)[C@H](Nc1cc(C2CC2)nc2ncnn12)c1ccc(OC(F)(F)F)cc1F.

What is the InChIKey of (1R)-1-[(5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-[2-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol?

The InChIKey is BZQQEFZNXNAJPT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19F4N5O2/c1-18(2,29)16(12-6-5-11(7-13(12)20)30-19(21,22)23)27-15-8-14(10-3-4-10)26-17-24-9-25-28(15)17/h5-10,16,27,29H,3-4H2,1-2H3/t16-/m1/s1.

What are the key properties of (1R)-1-[(5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-[2-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol?

(1R)-1-[(5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-[2-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol has a molecular weight of 425.39 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-[(5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-[2-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol is sourced from PubChem (CID 134611455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).