5-[3-(3,6-dihydro-2H-pyran-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazin-2-amine

C18H16F3N7O2 — CID 175893271

About 5-[3-(3,6-dihydro-2H-pyran-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazin-2-amine

5-[3-(3,6-dihydro-2H-pyran-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazin-2-amine (PubChem CID 175893271) has the molecular formula C18H16F3N7O2 and a molecular weight of 419.37 g/mol. Its IUPAC name is 5-[3-(3,6-dihydro-2H-pyran-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 5-[3-(3,6-dihydro-2H-pyran-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazin-2-amine
• PubChem CID: 175893271
• Molecular Formula: C18H16F3N7O2
• Molecular Weight: 419.37 g/mol
• Exact Mass: 419.13
• IUPAC Name: 5-[3-(3,6-dihydro-2H-pyran-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazin-2-amine
• SMILES: Nc1ncc(-c2cccc(C3=CCOCC3)c2OCC(F)(F)F)nc1-c1nn[nH]n1
• InChI: InChI=1S/C18H16F3N7O2/c19-18(20,21)9-30-15-11(10-4-6-29-7-5-10)2-1-3-12(15)13-8-23-16(22)14(24-13)17-25-27-28-26-17/h1-4,8H,5-7,9H2,(H2,22,23)(H,25,26,27,28)
• InChIKey: MWMXNGOKRXOGFE-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 124.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.37
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,6-dihydro-2H-pyran-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazin-2-amine?

The IUPAC name of 5-[3-(3,6-dihydro-2H-pyran-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazin-2-amine (CID 175893271) is 5-[3-(3,6-dihydro-2H-pyran-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazin-2-amine.

What is the SMILES notation for 5-[3-(3,6-dihydro-2H-pyran-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazin-2-amine?

The canonical SMILES for 5-[3-(3,6-dihydro-2H-pyran-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazin-2-amine is Nc1ncc(-c2cccc(C3=CCOCC3)c2OCC(F)(F)F)nc1-c1nn[nH]n1.

What is the InChIKey of 5-[3-(3,6-dihydro-2H-pyran-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazin-2-amine?

The InChIKey is MWMXNGOKRXOGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N7O2/c19-18(20,21)9-30-15-11(10-4-6-29-7-5-10)2-1-3-12(15)13-8-23-16(22)14(24-13)17-25-27-28-26-17/h1-4,8H,5-7,9H2,(H2,22,23)(H,25,26,27,28).

What are the key properties of 5-[3-(3,6-dihydro-2H-pyran-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazin-2-amine?

5-[3-(3,6-dihydro-2H-pyran-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazin-2-amine has a molecular weight of 419.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(3,6-dihydro-2H-pyran-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazin-2-amine is sourced from PubChem (CID 175893271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).