N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine

C11H20F3N5 — CID 55073710

IUPACN-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCN(C)CC(F)(F)F)nn1
InChIInChI=1S/C11H20F3N5/c1-9(2)15-6-10-7-19(17-16-10)5-4-18(3)8-11(12,13)14/h7,9,15H,4-6,8H2,1-3H3
InChIKeyRQPFYBCNGKTUJB-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.27
Rot. Bonds7

About N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine

N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine (PubChem CID 55073710) has the molecular formula C11H20F3N5 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
PubChem CID55073710
Molecular FormulaC11H20F3N5
Molecular Weight279.31 g/mol
Exact Mass279.17
IUPAC NameN-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCN(C)CC(F)(F)F)nn1
InChIInChI=1S/C11H20F3N5/c1-9(2)15-6-10-7-19(17-16-10)5-4-18(3)8-11(12,13)14/h7,9,15H,4-6,8H2,1-3H3
InChIKeyRQPFYBCNGKTUJB-UHFFFAOYSA-N
XLogP1.27
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine (CID 55073710) is N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(CCN(C)CC(F)(F)F)nn1.
What is the InChIKey of N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine?
The InChIKey is RQPFYBCNGKTUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N5/c1-9(2)15-6-10-7-19(17-16-10)5-4-18(3)8-11(12,13)14/h7,9,15H,4-6,8H2,1-3H3.
What are the key properties of N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine?
N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine has a molecular weight of 279.31 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 55073710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).