N-[[2-(2-amino-1-cyclopentylpropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine

C26H28F9N7 — CID 87636189

About N-[[2-(2-amino-1-cyclopentylpropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine

N-[[2-(2-amino-1-cyclopentylpropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine (PubChem CID 87636189) has the molecular formula C26H28F9N7 and a molecular weight of 609.54 g/mol. Its IUPAC name is N-[[2-(2-amino-1-cyclopentylpropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine.

Molecular Properties

• Compound Name: N-[[2-(2-amino-1-cyclopentylpropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
• PubChem CID: 87636189
• Molecular Formula: C26H28F9N7
• Molecular Weight: 609.54 g/mol
• Exact Mass: 609.23
• IUPAC Name: N-[[2-(2-amino-1-cyclopentylpropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
• SMILES: Cn1nnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)cnc2C(C)(N)CC2CCCC2)n1
• InChI: InChI=1S/C26H28F9N7/c1-23(36,11-15-5-3-4-6-15)21-17(9-20(12-37-21)26(33,34)35)14-42(22-38-40-41(2)39-22)13-16-7-18(24(27,28)29)10-19(8-16)25(30,31)32/h7-10,12,15H,3-6,11,13-14,36H2,1-2H3
• InChIKey: YJIZKNGULNZVJA-UHFFFAOYSA-N
• XLogP: 6.62
• TPSA: 85.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.54
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[2-(2-amino-1-cyclopentylpropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine (CID 87636189) is N-[[2-(2-amino-1-cyclopentylpropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine.

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

The canonical SMILES for N-[[2-(2-amino-1-cyclopentylpropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine is Cn1nnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)cnc2C(C)(N)CC2CCCC2)n1.

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

The InChIKey is YJIZKNGULNZVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F9N7/c1-23(36,11-15-5-3-4-6-15)21-17(9-20(12-37-21)26(33,34)35)14-42(22-38-40-41(2)39-22)13-16-7-18(24(27,28)29)10-19(8-16)25(30,31)32/h7-10,12,15H,3-6,11,13-14,36H2,1-2H3.

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

N-[[2-(2-amino-1-cyclopentylpropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine has a molecular weight of 609.54 g/mol, XLogP of 6.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(2-amino-1-cyclopentylpropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine is sourced from PubChem (CID 87636189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).