N-ethyl-1-(3-fluoro-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethanamine

C12H16FN5 — CID 107050554

IUPACN-ethyl-1-(3-fluoro-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCCNC(Cc1cn(C)nn1)c1ncccc1F
InChIInChI=1S/C12H16FN5/c1-3-14-11(7-9-8-18(2)17-16-9)12-10(13)5-4-6-15-12/h4-6,8,11,14H,3,7H2,1-2H3
InChIKeyREKUBHCNOILNLZ-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.24
Rot. Bonds5

About N-ethyl-1-(3-fluoro-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethanamine

N-ethyl-1-(3-fluoro-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethanamine (PubChem CID 107050554) has the molecular formula C12H16FN5 and a molecular weight of 249.29 g/mol. Its IUPAC name is N-ethyl-1-(3-fluoro-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluoro-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethanamine
PubChem CID107050554
Molecular FormulaC12H16FN5
Molecular Weight249.29 g/mol
Exact Mass249.14
IUPAC NameN-ethyl-1-(3-fluoro-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCCNC(Cc1cn(C)nn1)c1ncccc1F
InChIInChI=1S/C12H16FN5/c1-3-14-11(7-9-8-18(2)17-16-9)12-10(13)5-4-6-15-12/h4-6,8,11,14H,3,7H2,1-2H3
InChIKeyREKUBHCNOILNLZ-UHFFFAOYSA-N
XLogP1.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-methyl-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107048847
N-[1-(3-ethyl-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107050759
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine
CID 104803642
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine
CID 103040362
1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107050660
1-(4-bromophenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107048451
N-ethyl-1-(5-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063898
N-ethyl-2-(1-methyltriazol-4-yl)-1-naphthalen-2-ylethanamine
CID 107048978
1-(2,3-difluorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064230
1-(3,4-dichlorophenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107050517
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 82877213
N-ethyl-1-(4-methylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063909

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluoro-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of N-ethyl-1-(3-fluoro-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethanamine (CID 107050554) is N-ethyl-1-(3-fluoro-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-fluoro-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-fluoro-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethanamine is CCNC(Cc1cn(C)nn1)c1ncccc1F.
What is the InChIKey of N-ethyl-1-(3-fluoro-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is REKUBHCNOILNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5/c1-3-14-11(7-9-8-18(2)17-16-9)12-10(13)5-4-6-15-12/h4-6,8,11,14H,3,7H2,1-2H3.
What are the key properties of N-ethyl-1-(3-fluoro-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethanamine?
N-ethyl-1-(3-fluoro-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethanamine has a molecular weight of 249.29 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluoro-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 107050554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).