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

C14H12N4O — CID 918317

IUPAC2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]pyridine
SMILESc1ccc(OCc2nc(-c3ccccn3)n[nH]2)cc1
InChIInChI=1S/C14H12N4O/c1-2-6-11(7-3-1)19-10-13-16-14(18-17-13)12-8-4-5-9-15-12/h1-9H,10H2,(H,16,17,18)
InChIKeyZHGQUNBSDFXQST-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.45
Rot. Bonds4

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

2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]pyridine (PubChem CID 918317) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]pyridine
PubChem CID918317
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]pyridine
SMILESc1ccc(OCc2nc(-c3ccccn3)n[nH]2)cc1
InChIInChI=1S/C14H12N4O/c1-2-6-11(7-3-1)19-10-13-16-14(18-17-13)12-8-4-5-9-15-12/h1-9H,10H2,(H,16,17,18)
InChIKeyZHGQUNBSDFXQST-UHFFFAOYSA-N
XLogP2.45
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Methoxy-phenyl)-2-(5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 3161718
6-(Phenoxymethyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662259
4-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 43839997
2-methoxy-5-(3-methyl-5-(3-phenoxyazetidin-1-yl)-4H-1,2,4-triazol-4-yl)pyridine
CID 46225083
n3-(2-Methoxy-phenyl)-1-pyridin-2-yl-1h-[1,2,4]triazole-3,5-diamine
CID 56595687
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
3-methyl-N-[5-[5-(oxan-4-yloxy)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-2-amine
CID 155230299
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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]pyridine (CID 918317) is 2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]pyridine is c1ccc(OCc2nc(-c3ccccn3)n[nH]2)cc1.
What is the InChIKey of 2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]pyridine?
The InChIKey is ZHGQUNBSDFXQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-2-6-11(7-3-1)19-10-13-16-14(18-17-13)12-8-4-5-9-15-12/h1-9H,10H2,(H,16,17,18).
What are the key properties of 2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]pyridine?
2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]pyridine has a molecular weight of 252.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 918317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).