N-ethyl-N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2,2,2-trifluoroethanamine

C11H20F3N5 — CID 62426807

IUPACN-ethyl-N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2,2,2-trifluoroethanamine
SMILESCCNCc1cn(CCN(CC)CC(F)(F)F)nn1
InChIInChI=1S/C11H20F3N5/c1-3-15-7-10-8-19(17-16-10)6-5-18(4-2)9-11(12,13)14/h8,15H,3-7,9H2,1-2H3
InChIKeyWEGVANHUSFPSBR-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.27
Rot. Bonds8

About N-ethyl-N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2,2,2-trifluoroethanamine

N-ethyl-N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2,2,2-trifluoroethanamine (PubChem CID 62426807) has the molecular formula C11H20F3N5 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-ethyl-N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-ethyl-N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2,2,2-trifluoroethanamine
PubChem CID62426807
Molecular FormulaC11H20F3N5
Molecular Weight279.31 g/mol
Exact Mass279.17
IUPAC NameN-ethyl-N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2,2,2-trifluoroethanamine
SMILESCCNCc1cn(CCN(CC)CC(F)(F)F)nn1
InChIInChI=1S/C11H20F3N5/c1-3-15-7-10-8-19(17-16-10)6-5-18(4-2)9-11(12,13)14/h8,15H,3-7,9H2,1-2H3
InChIKeyWEGVANHUSFPSBR-UHFFFAOYSA-N
XLogP1.27
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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-ethyl-N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-ethyl-N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2,2,2-trifluoroethanamine (CID 62426807) is N-ethyl-N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-ethyl-N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-ethyl-N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2,2,2-trifluoroethanamine is CCNCc1cn(CCN(CC)CC(F)(F)F)nn1.
What is the InChIKey of N-ethyl-N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is WEGVANHUSFPSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N5/c1-3-15-7-10-8-19(17-16-10)6-5-18(4-2)9-11(12,13)14/h8,15H,3-7,9H2,1-2H3.
What are the key properties of N-ethyl-N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2,2,2-trifluoroethanamine?
N-ethyl-N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 279.31 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 62426807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).