4-[5-[(4-fluorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine

C14H11FN4O — CID 2766558

IUPAC4-[5-[(4-fluorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine
SMILESFc1ccc(OCc2nc(-c3ccncc3)n[nH]2)cc1
InChIInChI=1S/C14H11FN4O/c15-11-1-3-12(4-2-11)20-9-13-17-14(19-18-13)10-5-7-16-8-6-10/h1-8H,9H2,(H,17,18,19)
InChIKeyIDSNMTRCVZDGGW-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.58
Rot. Bonds4

About 4-[5-[(4-fluorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine

4-[5-[(4-fluorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine (PubChem CID 2766558) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 4-[5-[(4-fluorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[5-[(4-fluorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine
PubChem CID2766558
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name4-[5-[(4-fluorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine
SMILESFc1ccc(OCc2nc(-c3ccncc3)n[nH]2)cc1
InChIInChI=1S/C14H11FN4O/c15-11-1-3-12(4-2-11)20-9-13-17-14(19-18-13)10-5-7-16-8-6-10/h1-8H,9H2,(H,17,18,19)
InChIKeyIDSNMTRCVZDGGW-UHFFFAOYSA-N
XLogP2.58
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-isobutoxy-5-(5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl)benzonitrile
CID 12991050
4-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 43839997
3-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 86072888
3-phenoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 86072920
3-(2-phenylethoxy)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 137631658
3-phenylmethoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 137655381
4-[2-(3-Phenoxy-propyl)-2H-tetrazol-5-yl]-pyridine
CID 655055
1-(phenoxyacetyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970599
4-methoxy-3-(1H-1,2,4-triazol-3-yl)-2-pyridinyl phenyl ether
CID 1488697
4-chlorophenyl [5-(2-pyridinyl)-1H-1,2,4-triazol-3-yl]methyl ether
CID 2108987
4-[5-[2-(4-Fluorophenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 2432757
5-(phenoxymethyl)-4-[(4-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol
CID 6886716

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-fluorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 4-[5-[(4-fluorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine (CID 2766558) is 4-[5-[(4-fluorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 4-[5-[(4-fluorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 4-[5-[(4-fluorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine is Fc1ccc(OCc2nc(-c3ccncc3)n[nH]2)cc1.
What is the InChIKey of 4-[5-[(4-fluorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine?
The InChIKey is IDSNMTRCVZDGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-11-1-3-12(4-2-11)20-9-13-17-14(19-18-13)10-5-7-16-8-6-10/h1-8H,9H2,(H,17,18,19).
What are the key properties of 4-[5-[(4-fluorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine?
4-[5-[(4-fluorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine has a molecular weight of 270.27 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-fluorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 2766558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).