5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxypyridine

C16H16N4O2 — CID 72937172

IUPAC5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxypyridine
SMILESCOCc1nc(-c2ccc(OCc3ccccc3)nc2)n[nH]1
InChIInChI=1S/C16H16N4O2/c1-21-11-14-18-16(20-19-14)13-7-8-15(17-9-13)22-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,18,19,20)
InChIKeyOMRKOSLKEXQSNA-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.59
Rot. Bonds6

About 5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxypyridine

5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxypyridine (PubChem CID 72937172) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxypyridine.

Molecular Properties

Compound Name5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxypyridine
PubChem CID72937172
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxypyridine
SMILESCOCc1nc(-c2ccc(OCc3ccccc3)nc2)n[nH]1
InChIInChI=1S/C16H16N4O2/c1-21-11-14-18-16(20-19-14)13-7-8-15(17-9-13)22-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,18,19,20)
InChIKeyOMRKOSLKEXQSNA-UHFFFAOYSA-N
XLogP2.59
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxypyridine?
The IUPAC name of 5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxypyridine (CID 72937172) is 5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxypyridine.
What is the SMILES notation for 5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxypyridine?
The canonical SMILES for 5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxypyridine is COCc1nc(-c2ccc(OCc3ccccc3)nc2)n[nH]1.
What is the InChIKey of 5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxypyridine?
The InChIKey is OMRKOSLKEXQSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-21-11-14-18-16(20-19-14)13-7-8-15(17-9-13)22-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,18,19,20).
What are the key properties of 5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxypyridine?
5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxypyridine has a molecular weight of 296.33 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxypyridine is sourced from PubChem (CID 72937172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).