N-[1-(4-aminophenyl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C14H14FN5 — CID 116650552

IUPACN-[1-(4-aminophenyl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC(Nc1nc2ccc(F)cn2n1)c1ccc(N)cc1
InChIInChI=1S/C14H14FN5/c1-9(10-2-5-12(16)6-3-10)17-14-18-13-7-4-11(15)8-20(13)19-14/h2-9H,16H2,1H3,(H,17,19)
InChIKeyXFYPVVHTOHEWMS-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.62
Rot. Bonds3

About N-[1-(4-aminophenyl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-[1-(4-aminophenyl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 116650552) has the molecular formula C14H14FN5 and a molecular weight of 271.30 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID116650552
Molecular FormulaC14H14FN5
Molecular Weight271.30 g/mol
Exact Mass271.12
IUPAC NameN-[1-(4-aminophenyl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC(Nc1nc2ccc(F)cn2n1)c1ccc(N)cc1
InChIInChI=1S/C14H14FN5/c1-9(10-2-5-12(16)6-3-10)17-14-18-13-7-4-11(15)8-20(13)19-14/h2-9H,16H2,1H3,(H,17,19)
InChIKeyXFYPVVHTOHEWMS-UHFFFAOYSA-N
XLogP2.62
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-N-(4-methylpent-1-yn-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114202601
2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hexane-1,2-diamine
CID 80698401
2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dimethylbutane-1,2-diamine
CID 115310784
1-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropane-1,2-diamine
CID 115303641
3-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4,4-dimethylpentan-1-ol
CID 106350714
6-fluoro-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 84656862
6-fluoro-N-(3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114174358
N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 60726849
N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 112670728
N-[1-(4-aminophenyl)ethyl]-5-iodopyrimidin-2-amine
CID 116648717
N-[1-(4-aminophenyl)ethyl]-1,2,4-benzotriazin-3-amine
CID 103204777
4-N-[1-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80802316

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[1-(4-aminophenyl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 116650552) is N-[1-(4-aminophenyl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[1-(4-aminophenyl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[1-(4-aminophenyl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CC(Nc1nc2ccc(F)cn2n1)c1ccc(N)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is XFYPVVHTOHEWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5/c1-9(10-2-5-12(16)6-3-10)17-14-18-13-7-4-11(15)8-20(13)19-14/h2-9H,16H2,1H3,(H,17,19).
What are the key properties of N-[1-(4-aminophenyl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[1-(4-aminophenyl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 271.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 116650552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).