N-[[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]cyclopropanamine

C14H15F3N4 — CID 66191658

IUPACN-[[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]cyclopropanamine
SMILESFC(F)(F)c1ccccc1Cn1cc(CNC2CC2)nn1
InChIInChI=1S/C14H15F3N4/c15-14(16,17)13-4-2-1-3-10(13)8-21-9-12(19-20-21)7-18-11-5-6-11/h1-4,9,11,18H,5-8H2
InChIKeyCKSWBUFEIWBONI-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.60
Rot. Bonds5

About N-[[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]cyclopropanamine

N-[[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]cyclopropanamine (PubChem CID 66191658) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is N-[[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]cyclopropanamine
PubChem CID66191658
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC NameN-[[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]cyclopropanamine
SMILESFC(F)(F)c1ccccc1Cn1cc(CNC2CC2)nn1
InChIInChI=1S/C14H15F3N4/c15-14(16,17)13-4-2-1-3-10(13)8-21-9-12(19-20-21)7-18-11-5-6-11/h1-4,9,11,18H,5-8H2
InChIKeyCKSWBUFEIWBONI-UHFFFAOYSA-N
XLogP2.60
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]cyclopropanamine (CID 66191658) is N-[[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]cyclopropanamine is FC(F)(F)c1ccccc1Cn1cc(CNC2CC2)nn1.
What is the InChIKey of N-[[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is CKSWBUFEIWBONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c15-14(16,17)13-4-2-1-3-10(13)8-21-9-12(19-20-21)7-18-11-5-6-11/h1-4,9,11,18H,5-8H2.
What are the key properties of N-[[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]cyclopropanamine?
N-[[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 296.30 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66191658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).