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

C26H25F11N6 — CID 24756963

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(1S)-1-(3,3-difluoroazetidin-1-yl)-2-methylpropyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
SMILESCC(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)(F)C1
InChIInChI=1S/C26H25F11N6/c1-14(2)21(43-12-23(27,28)13-43)20-5-4-17(24(29,30)31)8-16(20)11-42(22-38-40-41(3)39-22)10-15-6-18(25(32,33)34)9-19(7-15)26(35,36)37/h4-9,14,21H,10-13H2,1-3H3/t21-/m0/s1
InChIKeyCJWYOKJQOXWLFP-NRFANRHFSA-N
MW630.51 g/mol
LogP7.12
Rot. Bonds8

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

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(1S)-1-(3,3-difluoroazetidin-1-yl)-2-methylpropyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine (PubChem CID 24756963) has the molecular formula C26H25F11N6 and a molecular weight of 630.51 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(1S)-1-(3,3-difluoroazetidin-1-yl)-2-methylpropyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(1S)-1-(3,3-difluoroazetidin-1-yl)-2-methylpropyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
PubChem CID24756963
Molecular FormulaC26H25F11N6
Molecular Weight630.51 g/mol
Exact Mass630.20
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(1S)-1-(3,3-difluoroazetidin-1-yl)-2-methylpropyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
SMILESCC(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)(F)C1
InChIInChI=1S/C26H25F11N6/c1-14(2)21(43-12-23(27,28)13-43)20-5-4-17(24(29,30)31)8-16(20)11-42(22-38-40-41(3)39-22)10-15-6-18(25(32,33)34)9-19(7-15)26(35,36)37/h4-9,14,21H,10-13H2,1-3H3/t21-/m0/s1
InChIKeyCJWYOKJQOXWLFP-NRFANRHFSA-N
XLogP7.12
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.51
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-(3-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine
CID 11570714
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
CID 11642812
N-[3,5-Bis(trifluoromethyl)benzyl]-2-methyl-N-[2-(1-morpholin-4-yl-propyl)-5-(trifluoromethyl)benzyl]-2H-tetrazol-5-amine
CID 23642337
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-(1-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine
CID 24756546
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[(1R)-1-pyrrolidin-1-ylpropyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine
CID 24756547
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[(1S)-1-pyrrolidin-1-ylpropyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine
CID 24756548
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-[4-(ethoxymethyl)-4-fluoropiperidin-1-yl]-2-methylpropyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
CID 24756549
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(1R)-1-[4-(ethoxymethyl)-4-fluoropiperidin-1-yl]-2-methylpropyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
CID 24756626
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(1S)-1-[4-(ethoxymethyl)-4-fluoropiperidin-1-yl]-2-methylpropyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
CID 24756627
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-(3-fluoroazetidin-1-yl)-2-methylpropyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
CID 24756785
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(1R)-1-(3-fluoroazetidin-1-yl)-2-methylpropyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
CID 24756786
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

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(1S)-1-(3,3-difluoroazetidin-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-(3,3-difluoroazetidin-1-yl)-2-methylpropyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine (CID 24756963) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(1S)-1-(3,3-difluoroazetidin-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-(3,3-difluoroazetidin-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-(3,3-difluoroazetidin-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)(F)C1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(1S)-1-(3,3-difluoroazetidin-1-yl)-2-methylpropyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine?
The InChIKey is CJWYOKJQOXWLFP-NRFANRHFSA-N. The full InChI is InChI=1S/C26H25F11N6/c1-14(2)21(43-12-23(27,28)13-43)20-5-4-17(24(29,30)31)8-16(20)11-42(22-38-40-41(3)39-22)10-15-6-18(25(32,33)34)9-19(7-15)26(35,36)37/h4-9,14,21H,10-13H2,1-3H3/t21-/m0/s1.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(1S)-1-(3,3-difluoroazetidin-1-yl)-2-methylpropyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(1S)-1-(3,3-difluoroazetidin-1-yl)-2-methylpropyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine has a molecular weight of 630.51 g/mol, XLogP of 7.12, 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-(3,3-difluoroazetidin-1-yl)-2-methylpropyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine is sourced from PubChem (CID 24756963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).