N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine

C12H16FN5 — CID 103894751

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESCCn1cnnc1CNC(C)c1ccc(F)cn1
InChIInChI=1S/C12H16FN5/c1-3-18-8-16-17-12(18)7-14-9(2)11-5-4-10(13)6-15-11/h4-6,8-9,14H,3,7H2,1-2H3
InChIKeyYXEIVKWVFIEFKJ-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.68
Rot. Bonds5

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine (PubChem CID 103894751) has the molecular formula C12H16FN5 and a molecular weight of 249.29 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine
PubChem CID103894751
Molecular FormulaC12H16FN5
Molecular Weight249.29 g/mol
Exact Mass249.14
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESCCn1cnnc1CNC(C)c1ccc(F)cn1
InChIInChI=1S/C12H16FN5/c1-3-18-8-16-17-12(18)7-14-9(2)11-5-4-10(13)6-15-11/h4-6,8-9,14H,3,7H2,1-2H3
InChIKeyYXEIVKWVFIEFKJ-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine (CID 103894751) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine is CCn1cnnc1CNC(C)c1ccc(F)cn1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine?
The InChIKey is YXEIVKWVFIEFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5/c1-3-18-8-16-17-12(18)7-14-9(2)11-5-4-10(13)6-15-11/h4-6,8-9,14H,3,7H2,1-2H3.
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine has a molecular weight of 249.29 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine is sourced from PubChem (CID 103894751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).