1-(2,3,4-trifluorophenyl)tetrazol-5-amine

C7H4F3N5 — CID 79506306

IUPAC1-(2,3,4-trifluorophenyl)tetrazol-5-amine
SMILESNc1nnnn1-c1ccc(F)c(F)c1F
InChIInChI=1S/C7H4F3N5/c8-3-1-2-4(6(10)5(3)9)15-7(11)12-13-14-15/h1-2H,(H2,11,12,14)
InChIKeyZBWZESMXKAFMTH-UHFFFAOYSA-N
MW215.14 g/mol
LogP0.66
Rot. Bonds1

About 1-(2,3,4-trifluorophenyl)tetrazol-5-amine

1-(2,3,4-trifluorophenyl)tetrazol-5-amine (PubChem CID 79506306) has the molecular formula C7H4F3N5 and a molecular weight of 215.14 g/mol. Its IUPAC name is 1-(2,3,4-trifluorophenyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-(2,3,4-trifluorophenyl)tetrazol-5-amine
PubChem CID79506306
Molecular FormulaC7H4F3N5
Molecular Weight215.14 g/mol
Exact Mass215.04
IUPAC Name1-(2,3,4-trifluorophenyl)tetrazol-5-amine
SMILESNc1nnnn1-c1ccc(F)c(F)c1F
InChIInChI=1S/C7H4F3N5/c8-3-1-2-4(6(10)5(3)9)15-7(11)12-13-14-15/h1-2H,(H2,11,12,14)
InChIKeyZBWZESMXKAFMTH-UHFFFAOYSA-N
XLogP0.66
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.14
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-trifluorophenyl)tetrazol-5-amine?
The IUPAC name of 1-(2,3,4-trifluorophenyl)tetrazol-5-amine (CID 79506306) is 1-(2,3,4-trifluorophenyl)tetrazol-5-amine.
What is the SMILES notation for 1-(2,3,4-trifluorophenyl)tetrazol-5-amine?
The canonical SMILES for 1-(2,3,4-trifluorophenyl)tetrazol-5-amine is Nc1nnnn1-c1ccc(F)c(F)c1F.
What is the InChIKey of 1-(2,3,4-trifluorophenyl)tetrazol-5-amine?
The InChIKey is ZBWZESMXKAFMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N5/c8-3-1-2-4(6(10)5(3)9)15-7(11)12-13-14-15/h1-2H,(H2,11,12,14).
What are the key properties of 1-(2,3,4-trifluorophenyl)tetrazol-5-amine?
1-(2,3,4-trifluorophenyl)tetrazol-5-amine has a molecular weight of 215.14 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-trifluorophenyl)tetrazol-5-amine is sourced from PubChem (CID 79506306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).