N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl(1-pyridin-4-ylethyl)amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine

C30H30F9N7 — CID 58966488

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl(1-pyridin-4-ylethyl)amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine
SMILESCCC(c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)N(C)C(C)c1ccncc1
InChIInChI=1S/C30H30F9N7/c1-5-26(44(3)18(2)20-8-10-40-11-9-20)25-7-6-22(28(31,32)33)14-21(25)17-46(27-41-43-45(4)42-27)16-19-12-23(29(34,35)36)15-24(13-19)30(37,38)39/h6-15,18,26H,5,16-17H2,1-4H3
InChIKeyFEQYSKBMBZYUEF-UHFFFAOYSA-N
MW659.60 g/mol
LogP8.01
Rot. Bonds10

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl(1-pyridin-4-ylethyl)amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl(1-pyridin-4-ylethyl)amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine (PubChem CID 58966488) has the molecular formula C30H30F9N7 and a molecular weight of 659.60 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl(1-pyridin-4-ylethyl)amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl(1-pyridin-4-ylethyl)amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine
PubChem CID58966488
Molecular FormulaC30H30F9N7
Molecular Weight659.60 g/mol
Exact Mass659.24
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl(1-pyridin-4-ylethyl)amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine
SMILESCCC(c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)N(C)C(C)c1ccncc1
InChIInChI=1S/C30H30F9N7/c1-5-26(44(3)18(2)20-8-10-40-11-9-20)25-7-6-22(28(31,32)33)14-21(25)17-46(27-41-43-45(4)42-27)16-19-12-23(29(34,35)36)15-24(13-19)30(37,38)39/h6-15,18,26H,5,16-17H2,1-4H3
InChIKeyFEQYSKBMBZYUEF-UHFFFAOYSA-N
XLogP8.01
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.60
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-[cyclopropylmethyl(methyl)amino]propyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
CID 58966394
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine
CID 58966597
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]propyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
CID 58966549
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[(1S)-1-piperidin-1-ylpropyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine
CID 24757852
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
CID 58966457
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-(3,4-dimethylpiperazin-1-yl)propyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
CID 58966397
1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-4-(trifluoromethyl)phenyl]-2-methylpropyl]azetidine-3-carbonitrile
CID 24756874
1-[1-[2-[[[3-(1,1-difluoropropyl)-5-(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-4-(trifluoromethyl)phenyl]propyl]azetidin-3-ol
CID 162554114
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
CID 11721268
4-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-4-(trifluoromethyl)phenyl]propyl]piperazine-1-carbaldehyde
CID 58966540
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[cyclobutyl(ethoxy)methyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
CID 58968657
[1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-1-ium-4-yl]methanol
CID 162554113

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl(1-pyridin-4-ylethyl)amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl(1-pyridin-4-ylethyl)amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine (CID 58966488) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl(1-pyridin-4-ylethyl)amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl(1-pyridin-4-ylethyl)amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl(1-pyridin-4-ylethyl)amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine is CCC(c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)N(C)C(C)c1ccncc1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl(1-pyridin-4-ylethyl)amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine?
The InChIKey is FEQYSKBMBZYUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F9N7/c1-5-26(44(3)18(2)20-8-10-40-11-9-20)25-7-6-22(28(31,32)33)14-21(25)17-46(27-41-43-45(4)42-27)16-19-12-23(29(34,35)36)15-24(13-19)30(37,38)39/h6-15,18,26H,5,16-17H2,1-4H3.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl(1-pyridin-4-ylethyl)amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl(1-pyridin-4-ylethyl)amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine has a molecular weight of 659.60 g/mol, XLogP of 8.01, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-N-[[2-[1-[methyl(1-pyridin-4-ylethyl)amino]propyl]-5-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine is sourced from PubChem (CID 58966488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).