N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(1S)-1-(3-fluoroazetidin-1-yl)-2-methylpropyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine

C26H26F10N6 — CID 24756787

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(1S)-1-(3-fluoroazetidin-1-yl)-2-methylpropyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(1S)-1-(3-fluoroazetidin-1-yl)-2-methylpropyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine (PubChem CID 24756787) has the molecular formula C26H26F10N6 and a molecular weight of 612.52 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(1S)-1-(3-fluoroazetidin-1-yl)-2-methylpropyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine.

Molecular Properties

• Compound Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(1S)-1-(3-fluoroazetidin-1-yl)-2-methylpropyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
• PubChem CID: 24756787
• Molecular Formula: C26H26F10N6
• Molecular Weight: 612.52 g/mol
• Exact Mass: 612.21
• IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(1S)-1-(3-fluoroazetidin-1-yl)-2-methylpropyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
• SMILES: CC(C)[C@@H](c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)N1CC(F)C1
• InChI: InChI=1S/C26H26F10N6/c1-14(2)22(41-12-20(27)13-41)21-5-4-17(24(28,29)30)8-16(21)11-42(23-37-39-40(3)38-23)10-15-6-18(25(31,32)33)9-19(7-15)26(34,35)36/h4-9,14,20,22H,10-13H2,1-3H3/t22-/m0/s1
• InChIKey: NLHDPOGDZCWINU-QFIPXVFZSA-N
• XLogP: 6.82
• TPSA: 50.08 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.52
LogP ≤ 5	6.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(1S)-1-(3-fluoroazetidin-1-yl)-2-methylpropyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine?

The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(1S)-1-(3-fluoroazetidin-1-yl)-2-methylpropyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine (CID 24756787) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(1S)-1-(3-fluoroazetidin-1-yl)-2-methylpropyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine.

What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(1S)-1-(3-fluoroazetidin-1-yl)-2-methylpropyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine?

The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(1S)-1-(3-fluoroazetidin-1-yl)-2-methylpropyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine is CC(C)[C@@H](c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)N1CC(F)C1.

What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(1S)-1-(3-fluoroazetidin-1-yl)-2-methylpropyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine?

The InChIKey is NLHDPOGDZCWINU-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H26F10N6/c1-14(2)22(41-12-20(27)13-41)21-5-4-17(24(28,29)30)8-16(21)11-42(23-37-39-40(3)38-23)10-15-6-18(25(31,32)33)9-19(7-15)26(34,35)36/h4-9,14,20,22H,10-13H2,1-3H3/t22-/m0/s1.

What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(1S)-1-(3-fluoroazetidin-1-yl)-2-methylpropyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine?

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(1S)-1-(3-fluoroazetidin-1-yl)-2-methylpropyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine has a molecular weight of 612.52 g/mol, XLogP of 6.82, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(1S)-1-(3-fluoroazetidin-1-yl)-2-methylpropyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine is sourced from PubChem (CID 24756787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).