[1-(2,3,4-trifluorophenyl)tetrazol-5-yl]methanamine;hydrochloride

C8H7ClF3N5 — CID 72716172

IUPAC[1-(2,3,4-trifluorophenyl)tetrazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1nnnn1-c1ccc(F)c(F)c1F
InChIInChI=1S/C8H6F3N5.ClH/c9-4-1-2-5(8(11)7(4)10)16-6(3-12)13-14-15-16;/h1-2H,3,12H2;1H
InChIKeyLZXFUJDVRDXMCY-UHFFFAOYSA-N
MW265.63 g/mol
LogP0.96
Rot. Bonds2

About [1-(2,3,4-trifluorophenyl)tetrazol-5-yl]methanamine;hydrochloride

[1-(2,3,4-trifluorophenyl)tetrazol-5-yl]methanamine;hydrochloride (PubChem CID 72716172) has the molecular formula C8H7ClF3N5 and a molecular weight of 265.63 g/mol. Its IUPAC name is [1-(2,3,4-trifluorophenyl)tetrazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(2,3,4-trifluorophenyl)tetrazol-5-yl]methanamine;hydrochloride
PubChem CID72716172
Molecular FormulaC8H7ClF3N5
Molecular Weight265.63 g/mol
Exact Mass265.03
IUPAC Name[1-(2,3,4-trifluorophenyl)tetrazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1nnnn1-c1ccc(F)c(F)c1F
InChIInChI=1S/C8H6F3N5.ClH/c9-4-1-2-5(8(11)7(4)10)16-6(3-12)13-14-15-16;/h1-2H,3,12H2;1H
InChIKeyLZXFUJDVRDXMCY-UHFFFAOYSA-N
XLogP0.96
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.63
LogP ≤ 50.96
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-yl]methanamine;hydrochloride?
The IUPAC name of [1-(2,3,4-trifluorophenyl)tetrazol-5-yl]methanamine;hydrochloride (CID 72716172) is [1-(2,3,4-trifluorophenyl)tetrazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(2,3,4-trifluorophenyl)tetrazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(2,3,4-trifluorophenyl)tetrazol-5-yl]methanamine;hydrochloride is Cl.NCc1nnnn1-c1ccc(F)c(F)c1F.
What is the InChIKey of [1-(2,3,4-trifluorophenyl)tetrazol-5-yl]methanamine;hydrochloride?
The InChIKey is LZXFUJDVRDXMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5.ClH/c9-4-1-2-5(8(11)7(4)10)16-6(3-12)13-14-15-16;/h1-2H,3,12H2;1H.
What are the key properties of [1-(2,3,4-trifluorophenyl)tetrazol-5-yl]methanamine;hydrochloride?
[1-(2,3,4-trifluorophenyl)tetrazol-5-yl]methanamine;hydrochloride has a molecular weight of 265.63 g/mol, XLogP of 0.96, 2 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-yl]methanamine;hydrochloride is sourced from PubChem (CID 72716172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).