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

C12H22F3N5 — CID 62427791

IUPAC2-methyl-N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCN(CCn1cc(CNC(C)(C)C)nn1)CC(F)(F)F
InChIInChI=1S/C12H22F3N5/c1-11(2,3)16-7-10-8-20(18-17-10)6-5-19(4)9-12(13,14)15/h8,16H,5-7,9H2,1-4H3
InChIKeyGNYPLFFVIOVVJX-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.66
Rot. Bonds6

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

2-methyl-N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine (PubChem CID 62427791) has the molecular formula C12H22F3N5 and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-methyl-N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
PubChem CID62427791
Molecular FormulaC12H22F3N5
Molecular Weight293.34 g/mol
Exact Mass293.18
IUPAC Name2-methyl-N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCN(CCn1cc(CNC(C)(C)C)nn1)CC(F)(F)F
InChIInChI=1S/C12H22F3N5/c1-11(2,3)16-7-10-8-20(18-17-10)6-5-19(4)9-12(13,14)15/h8,16H,5-7,9H2,1-4H3
InChIKeyGNYPLFFVIOVVJX-UHFFFAOYSA-N
XLogP1.66
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine (CID 62427791) is 2-methyl-N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine is CN(CCn1cc(CNC(C)(C)C)nn1)CC(F)(F)F.
What is the InChIKey of 2-methyl-N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine?
The InChIKey is GNYPLFFVIOVVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N5/c1-11(2,3)16-7-10-8-20(18-17-10)6-5-19(4)9-12(13,14)15/h8,16H,5-7,9H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine has a molecular weight of 293.34 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62427791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).