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

C15H14FN5 — CID 83119087

IUPACN-[1-(5-fluoro-2-pyridinyl)ethyl]-2-(1,2,4-triazol-1-yl)aniline
SMILESCC(Nc1ccccc1-n1cncn1)c1ccc(F)cn1
InChIInChI=1S/C15H14FN5/c1-11(13-7-6-12(16)8-18-13)20-14-4-2-3-5-15(14)21-10-17-9-19-21/h2-11,20H,1H3
InChIKeyRHKDSFHCJZVION-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.97
Rot. Bonds4

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

N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-(1,2,4-triazol-1-yl)aniline (PubChem CID 83119087) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-(1,2,4-triazol-1-yl)aniline.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-2-(1,2,4-triazol-1-yl)aniline
PubChem CID83119087
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-2-(1,2,4-triazol-1-yl)aniline
SMILESCC(Nc1ccccc1-n1cncn1)c1ccc(F)cn1
InChIInChI=1S/C15H14FN5/c1-11(13-7-6-12(16)8-18-13)20-14-4-2-3-5-15(14)21-10-17-9-19-21/h2-11,20H,1H3
InChIKeyRHKDSFHCJZVION-UHFFFAOYSA-N
XLogP2.97
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1,3-thiazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline
CID 64993427
N-[1-(5-methylthiophen-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43711623
N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117498
2-(difluoromethoxy)-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83118159
N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]methanesulfonamide
CID 83119346
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-thiophen-2-ylaniline
CID 83119202
N-[1-(furan-2-yl)propan-2-yl]-2-(1,2,4-triazol-1-yl)aniline
CID 63084439
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 83119610
5-chloro-N-(1-phenylethyl)-2-(1,2,4-triazol-1-yl)aniline
CID 43226937
2,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83118233
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-propan-2-ylpyrazol-3-amine
CID 114251941
4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117908

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-(1,2,4-triazol-1-yl)aniline?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-(1,2,4-triazol-1-yl)aniline (CID 83119087) is N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-(1,2,4-triazol-1-yl)aniline.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-(1,2,4-triazol-1-yl)aniline?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-(1,2,4-triazol-1-yl)aniline is CC(Nc1ccccc1-n1cncn1)c1ccc(F)cn1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-(1,2,4-triazol-1-yl)aniline?
The InChIKey is RHKDSFHCJZVION-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c1-11(13-7-6-12(16)8-18-13)20-14-4-2-3-5-15(14)21-10-17-9-19-21/h2-11,20H,1H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-(1,2,4-triazol-1-yl)aniline?
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-(1,2,4-triazol-1-yl)aniline has a molecular weight of 283.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-(1,2,4-triazol-1-yl)aniline is sourced from PubChem (CID 83119087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).