1-(3,4,5-trifluorophenyl)triazol-4-amine

C8H5F3N4 — CID 79507454

IUPAC1-(3,4,5-trifluorophenyl)triazol-4-amine
SMILESNc1cn(-c2cc(F)c(F)c(F)c2)nn1
InChIInChI=1S/C8H5F3N4/c9-5-1-4(2-6(10)8(5)11)15-3-7(12)13-14-15/h1-3H,12H2
InChIKeyRSVIGAFUOZKGRU-UHFFFAOYSA-N
MW214.15 g/mol
LogP1.27
Rot. Bonds1

About 1-(3,4,5-trifluorophenyl)triazol-4-amine

1-(3,4,5-trifluorophenyl)triazol-4-amine (PubChem CID 79507454) has the molecular formula C8H5F3N4 and a molecular weight of 214.15 g/mol. Its IUPAC name is 1-(3,4,5-trifluorophenyl)triazol-4-amine.

Molecular Properties

Compound Name1-(3,4,5-trifluorophenyl)triazol-4-amine
PubChem CID79507454
Molecular FormulaC8H5F3N4
Molecular Weight214.15 g/mol
Exact Mass214.05
IUPAC Name1-(3,4,5-trifluorophenyl)triazol-4-amine
SMILESNc1cn(-c2cc(F)c(F)c(F)c2)nn1
InChIInChI=1S/C8H5F3N4/c9-5-1-4(2-6(10)8(5)11)15-3-7(12)13-14-15/h1-3H,12H2
InChIKeyRSVIGAFUOZKGRU-UHFFFAOYSA-N
XLogP1.27
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-3-fluorophenyl)triazol-4-amine
CID 79507458
2-[1-(3,4,5-trifluorophenyl)triazol-4-yl]ethanamine
CID 116641604
4-(1-bromoethyl)-1-(3,4,5-trifluorophenyl)triazole
CID 81449682
methyl 1-(3,4,5-trifluorophenyl)triazole-4-carboxylate
CID 122241205
4-methyl-1-(3,4,5-trifluorophenyl)pyrazol-3-amine
CID 79194411
1-naphthalen-2-yltriazol-4-amine
CID 79502410
2-methyl-N-[[1-(3,4,5-trifluorophenyl)triazol-4-yl]methyl]propan-1-amine
CID 66205092
1-(6-bromonaphthalen-2-yl)triazol-4-amine
CID 81260534
1-(3,4-difluorophenyl)triazole-4-carbaldehyde
CID 66215414
2-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]ethanamine
CID 116641620
1-(1,3-oxazol-5-yl)triazol-4-amine
CID 96636076
1-(2-iodophenyl)triazol-4-amine
CID 79502430

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5-trifluorophenyl)triazol-4-amine?
The IUPAC name of 1-(3,4,5-trifluorophenyl)triazol-4-amine (CID 79507454) is 1-(3,4,5-trifluorophenyl)triazol-4-amine.
What is the SMILES notation for 1-(3,4,5-trifluorophenyl)triazol-4-amine?
The canonical SMILES for 1-(3,4,5-trifluorophenyl)triazol-4-amine is Nc1cn(-c2cc(F)c(F)c(F)c2)nn1.
What is the InChIKey of 1-(3,4,5-trifluorophenyl)triazol-4-amine?
The InChIKey is RSVIGAFUOZKGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4/c9-5-1-4(2-6(10)8(5)11)15-3-7(12)13-14-15/h1-3H,12H2.
What are the key properties of 1-(3,4,5-trifluorophenyl)triazol-4-amine?
1-(3,4,5-trifluorophenyl)triazol-4-amine has a molecular weight of 214.15 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trifluorophenyl)triazol-4-amine is sourced from PubChem (CID 79507454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).