N-benzyl-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine

C15H12F3N5 — CID 134815288

IUPACN-benzyl-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine
SMILESFC(F)(F)c1cccc(-n2nnnc2NCc2ccccc2)c1
InChIInChI=1S/C15H12F3N5/c16-15(17,18)12-7-4-8-13(9-12)23-14(20-21-22-23)19-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,19,20,22)
InChIKeyUUBKSPCQBZQHMJ-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.29
Rot. Bonds4

About N-benzyl-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine

N-benzyl-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine (PubChem CID 134815288) has the molecular formula C15H12F3N5 and a molecular weight of 319.29 g/mol. Its IUPAC name is N-benzyl-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine.

Molecular Properties

Compound NameN-benzyl-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine
PubChem CID134815288
Molecular FormulaC15H12F3N5
Molecular Weight319.29 g/mol
Exact Mass319.10
IUPAC NameN-benzyl-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine
SMILESFC(F)(F)c1cccc(-n2nnnc2NCc2ccccc2)c1
InChIInChI=1S/C15H12F3N5/c16-15(17,18)12-7-4-8-13(9-12)23-14(20-21-22-23)19-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,19,20,22)
InChIKeyUUBKSPCQBZQHMJ-UHFFFAOYSA-N
XLogP3.29
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine?
The IUPAC name of N-benzyl-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine (CID 134815288) is N-benzyl-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine.
What is the SMILES notation for N-benzyl-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine?
The canonical SMILES for N-benzyl-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine is FC(F)(F)c1cccc(-n2nnnc2NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine?
The InChIKey is UUBKSPCQBZQHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5/c16-15(17,18)12-7-4-8-13(9-12)23-14(20-21-22-23)19-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,19,20,22).
What are the key properties of N-benzyl-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine?
N-benzyl-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine has a molecular weight of 319.29 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine is sourced from PubChem (CID 134815288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).