1-(5-fluoro-2-pyridinyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine

C11H14FN5 — CID 107050222

IUPAC1-(5-fluoro-2-pyridinyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
SMILESCNC(Cc1cn(C)nn1)c1ccc(F)cn1
InChIInChI=1S/C11H14FN5/c1-13-11(5-9-7-17(2)16-15-9)10-4-3-8(12)6-14-10/h3-4,6-7,11,13H,5H2,1-2H3
InChIKeyWGGNFBLRUYLYNF-UHFFFAOYSA-N
MW235.27 g/mol
LogP0.85
Rot. Bonds4

About 1-(5-fluoro-2-pyridinyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine

1-(5-fluoro-2-pyridinyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine (PubChem CID 107050222) has the molecular formula C11H14FN5 and a molecular weight of 235.27 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
PubChem CID107050222
Molecular FormulaC11H14FN5
Molecular Weight235.27 g/mol
Exact Mass235.12
IUPAC Name1-(5-fluoro-2-pyridinyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
SMILESCNC(Cc1cn(C)nn1)c1ccc(F)cn1
InChIInChI=1S/C11H14FN5/c1-13-11(5-9-7-17(2)16-15-9)10-4-3-8(12)6-14-10/h3-4,6-7,11,13H,5H2,1-2H3
InChIKeyWGGNFBLRUYLYNF-UHFFFAOYSA-N
XLogP0.85
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-fluoro-2-pyridinyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 79712344
N-methyl-2-(1-methyltriazol-4-yl)-1-phenylethanamine
CID 107048557
1-(2,3-difluorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064230
1-(5-fluoro-2-pyridinyl)-N,3,5-trimethylhexan-1-amine
CID 114200966
[2-(1-methyltriazol-4-yl)-1-pyridin-2-ylethyl]hydrazine
CID 107065906
2-(2,3-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine
CID 79712624
N-ethyl-1-(3-fluoro-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107050554
1-(2,3-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064418
1-(2,5-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107063841
1,1,1-trifluoro-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107064626
1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107063923
1-(2-bromo-5-methylphenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064056

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine (CID 107050222) is 1-(5-fluoro-2-pyridinyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine is CNC(Cc1cn(C)nn1)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is WGGNFBLRUYLYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5/c1-13-11(5-9-7-17(2)16-15-9)10-4-3-8(12)6-14-10/h3-4,6-7,11,13H,5H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine?
1-(5-fluoro-2-pyridinyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine has a molecular weight of 235.27 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 107050222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).