N-[[1-(2,4,6-trifluorophenyl)triazol-4-yl]methyl]cyclopropanamine

C12H11F3N4 — CID 66205709

IUPACN-[[1-(2,4,6-trifluorophenyl)triazol-4-yl]methyl]cyclopropanamine
SMILESFc1cc(F)c(-n2cc(CNC3CC3)nn2)c(F)c1
InChIInChI=1S/C12H11F3N4/c13-7-3-10(14)12(11(15)4-7)19-6-9(17-18-19)5-16-8-1-2-8/h3-4,6,8,16H,1-2,5H2
InChIKeyDTLLHVPUXCDHNG-UHFFFAOYSA-N
MW268.24 g/mol
LogP1.94
Rot. Bonds4

About N-[[1-(2,4,6-trifluorophenyl)triazol-4-yl]methyl]cyclopropanamine

N-[[1-(2,4,6-trifluorophenyl)triazol-4-yl]methyl]cyclopropanamine (PubChem CID 66205709) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is N-[[1-(2,4,6-trifluorophenyl)triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2,4,6-trifluorophenyl)triazol-4-yl]methyl]cyclopropanamine
PubChem CID66205709
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC NameN-[[1-(2,4,6-trifluorophenyl)triazol-4-yl]methyl]cyclopropanamine
SMILESFc1cc(F)c(-n2cc(CNC3CC3)nn2)c(F)c1
InChIInChI=1S/C12H11F3N4/c13-7-3-10(14)12(11(15)4-7)19-6-9(17-18-19)5-16-8-1-2-8/h3-4,6,8,16H,1-2,5H2
InChIKeyDTLLHVPUXCDHNG-UHFFFAOYSA-N
XLogP1.94
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-chloro-5-fluorophenyl)triazol-4-yl]methyl]cyclopropanamine
CID 107531699
N-[[1-(2-bromo-5-fluorophenyl)triazol-4-yl]methyl]cyclopropanamine
CID 107627683
N-[[1-(2-bromo-4-chlorophenyl)triazol-4-yl]methyl]cyclopropanamine
CID 81271668
N-[[1-(4-chloro-2-methylphenyl)triazol-4-yl]methyl]cyclopropanamine
CID 66205065
N-[[1-(4-bromo-3,5-dimethylphenyl)triazol-4-yl]methyl]cyclopropanamine
CID 107580475
N-[[1-(4-methylsulfanylphenyl)triazol-4-yl]methyl]cyclopropanamine
CID 66205641
4-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methylamino]cyclohexane-1-carboxylic acid
CID 120509901
N-[[1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methyl]cyclopropanamine
CID 66205668
N-[[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]methyl]cyclopropanamine
CID 66204627
N-[[1-(4-tert-butylphenyl)triazol-4-yl]methyl]cyclopropanamine
CID 66207271
N-[[1-(2-bromo-4-methyl-6-nitrophenyl)triazol-4-yl]methyl]cyclopropanamine
CID 116813920
N-[(1-cyclopentyltriazol-4-yl)methyl]cyclopropanamine
CID 66193785

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4,6-trifluorophenyl)triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2,4,6-trifluorophenyl)triazol-4-yl]methyl]cyclopropanamine (CID 66205709) is N-[[1-(2,4,6-trifluorophenyl)triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2,4,6-trifluorophenyl)triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2,4,6-trifluorophenyl)triazol-4-yl]methyl]cyclopropanamine is Fc1cc(F)c(-n2cc(CNC3CC3)nn2)c(F)c1.
What is the InChIKey of N-[[1-(2,4,6-trifluorophenyl)triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is DTLLHVPUXCDHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c13-7-3-10(14)12(11(15)4-7)19-6-9(17-18-19)5-16-8-1-2-8/h3-4,6,8,16H,1-2,5H2.
What are the key properties of N-[[1-(2,4,6-trifluorophenyl)triazol-4-yl]methyl]cyclopropanamine?
N-[[1-(2,4,6-trifluorophenyl)triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 268.24 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4,6-trifluorophenyl)triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66205709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).