3-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-amine

C10H9F3N4 — CID 150423324

IUPAC3-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-amine
SMILESNc1cnnn1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C10H9F3N4/c11-10(12,13)8-4-2-1-3-7(8)6-17-9(14)5-15-16-17/h1-5H,6,14H2
InChIKeyHIGFCWVEZFXQKI-UHFFFAOYSA-N
MW242.20 g/mol
LogP1.93
Rot. Bonds2

About 3-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-amine

3-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-amine (PubChem CID 150423324) has the molecular formula C10H9F3N4 and a molecular weight of 242.20 g/mol. Its IUPAC name is 3-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-amine.

Molecular Properties

Compound Name3-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-amine
PubChem CID150423324
Molecular FormulaC10H9F3N4
Molecular Weight242.20 g/mol
Exact Mass242.08
IUPAC Name3-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-amine
SMILESNc1cnnn1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C10H9F3N4/c11-10(12,13)8-4-2-1-3-7(8)6-17-9(14)5-15-16-17/h1-5H,6,14H2
InChIKeyHIGFCWVEZFXQKI-UHFFFAOYSA-N
XLogP1.93
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-amine?
The IUPAC name of 3-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-amine (CID 150423324) is 3-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-amine.
What is the SMILES notation for 3-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-amine?
The canonical SMILES for 3-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-amine is Nc1cnnn1Cc1ccccc1C(F)(F)F.
What is the InChIKey of 3-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-amine?
The InChIKey is HIGFCWVEZFXQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4/c11-10(12,13)8-4-2-1-3-7(8)6-17-9(14)5-15-16-17/h1-5H,6,14H2.
What are the key properties of 3-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-amine?
3-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-amine has a molecular weight of 242.20 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-amine is sourced from PubChem (CID 150423324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).