1-(3-ethyltriazol-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

C9H15F3N4O — CID 114213296

IUPAC1-(3-ethyltriazol-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCn1nncc1C(COCC(F)(F)F)NC
InChIInChI=1S/C9H15F3N4O/c1-3-16-8(4-14-15-16)7(13-2)5-17-6-9(10,11)12/h4,7,13H,3,5-6H2,1-2H3
InChIKeyPWFACHCOWSTIMV-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.14
Rot. Bonds6

About 1-(3-ethyltriazol-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

1-(3-ethyltriazol-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 114213296) has the molecular formula C9H15F3N4O and a molecular weight of 252.24 g/mol. Its IUPAC name is 1-(3-ethyltriazol-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(3-ethyltriazol-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID114213296
Molecular FormulaC9H15F3N4O
Molecular Weight252.24 g/mol
Exact Mass252.12
IUPAC Name1-(3-ethyltriazol-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCn1nncc1C(COCC(F)(F)F)NC
InChIInChI=1S/C9H15F3N4O/c1-3-16-8(4-14-15-16)7(13-2)5-17-6-9(10,11)12/h4,7,13H,3,5-6H2,1-2H3
InChIKeyPWFACHCOWSTIMV-UHFFFAOYSA-N
XLogP1.14
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 62444843
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CID 62444844
CID 63827469
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CID 64005451
CID 64005451
CID 66192481
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CID 66193385
CID 66193385
CID 66194128
CID 66194128
CID 66194294
CID 66194294
CID 66204200
CID 66204200

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyltriazol-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(3-ethyltriazol-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 114213296) is 1-(3-ethyltriazol-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(3-ethyltriazol-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(3-ethyltriazol-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is CCn1nncc1C(COCC(F)(F)F)NC.
What is the InChIKey of 1-(3-ethyltriazol-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is PWFACHCOWSTIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4O/c1-3-16-8(4-14-15-16)7(13-2)5-17-6-9(10,11)12/h4,7,13H,3,5-6H2,1-2H3.
What are the key properties of 1-(3-ethyltriazol-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(3-ethyltriazol-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 252.24 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyltriazol-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 114213296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).