N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine

C10H18F3N5 — CID 62426806

IUPACN-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine
SMILESCCN(CCn1cc(CNC)nn1)CC(F)(F)F
InChIInChI=1S/C10H18F3N5/c1-3-17(8-10(11,12)13)4-5-18-7-9(6-14-2)15-16-18/h7,14H,3-6,8H2,1-2H3
InChIKeyXBNGNGCRLCCOSY-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.88
Rot. Bonds7

About N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine

N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine (PubChem CID 62426806) has the molecular formula C10H18F3N5 and a molecular weight of 265.28 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine
PubChem CID62426806
Molecular FormulaC10H18F3N5
Molecular Weight265.28 g/mol
Exact Mass265.15
IUPAC NameN-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine
SMILESCCN(CCn1cc(CNC)nn1)CC(F)(F)F
InChIInChI=1S/C10H18F3N5/c1-3-17(8-10(11,12)13)4-5-18-7-9(6-14-2)15-16-18/h7,14H,3-6,8H2,1-2H3
InChIKeyXBNGNGCRLCCOSY-UHFFFAOYSA-N
XLogP0.88
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine (CID 62426806) is N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine is CCN(CCn1cc(CNC)nn1)CC(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine?
The InChIKey is XBNGNGCRLCCOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N5/c1-3-17(8-10(11,12)13)4-5-18-7-9(6-14-2)15-16-18/h7,14H,3-6,8H2,1-2H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine?
N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine has a molecular weight of 265.28 g/mol, XLogP of 0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]ethanamine is sourced from PubChem (CID 62426806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).