2-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]pyridine

C14H12N4O — CID 50959322

IUPAC2-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]pyridine
SMILESc1ccc(COc2ccc(-n3cnnc3)cc2)nc1
InChIInChI=1S/C14H12N4O/c1-2-8-15-12(3-1)9-19-14-6-4-13(5-7-14)18-10-16-17-11-18/h1-8,10-11H,9H2
InChIKeyAUWDGEBYKYBVPF-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.24
Rot. Bonds4

About 2-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]pyridine

2-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]pyridine (PubChem CID 50959322) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]pyridine
PubChem CID50959322
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]pyridine
SMILESc1ccc(COc2ccc(-n3cnnc3)cc2)nc1
InChIInChI=1S/C14H12N4O/c1-2-8-15-12(3-1)9-19-14-6-4-13(5-7-14)18-10-16-17-11-18/h1-8,10-11H,9H2
InChIKeyAUWDGEBYKYBVPF-UHFFFAOYSA-N
XLogP2.24
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(tetrazol-1-yl)phenoxy]methyl]pyridine
CID 16764721
2-(pyridin-4-yloxymethyl)pyridine
CID 58505689
2-(pyridin-1-ium-4-yloxymethyl)pyridine
CID 59293395
3-[4-(pyridin-2-ylmethoxy)phenyl]propan-1-amine
CID 117095285
2-[(3,4-dichlorophenoxy)methyl]pyridine
CID 174779615
(1R)-1-[4-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 30121102
4-(pyridin-2-ylmethoxy)benzenecarbothioamide
CID 24690240
2-[[4-(pyrazol-1-ylmethyl)phenoxy]methyl]pyridine
CID 141170950
2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
CID 18958983
N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 24698261
4-(2-pyridin-2-ylethoxy)phenol
CID 60892821
2-[(1-methylpyrazol-4-yl)oxymethyl]pyridine
CID 116794145

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]pyridine?
The IUPAC name of 2-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]pyridine (CID 50959322) is 2-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]pyridine.
What is the SMILES notation for 2-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]pyridine?
The canonical SMILES for 2-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]pyridine is c1ccc(COc2ccc(-n3cnnc3)cc2)nc1.
What is the InChIKey of 2-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]pyridine?
The InChIKey is AUWDGEBYKYBVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-2-8-15-12(3-1)9-19-14-6-4-13(5-7-14)18-10-16-17-11-18/h1-8,10-11H,9H2.
What are the key properties of 2-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]pyridine?
2-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]pyridine has a molecular weight of 252.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]pyridine is sourced from PubChem (CID 50959322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).