tert-butyl 2-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)acetate

C19H21N3O3 — CID 155587149

IUPACtert-butyl 2-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)acetate
SMILESCC(C)(C)OC(=O)Cc1ccc(OCc2ccccc2)c2ncnn12
InChIInChI=1S/C19H21N3O3/c1-19(2,3)25-17(23)11-15-9-10-16(18-20-13-21-22(15)18)24-12-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3
InChIKeyYKCOCFSKWGNHTM-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.19
Rot. Bonds5

About tert-butyl 2-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)acetate

tert-butyl 2-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)acetate (PubChem CID 155587149) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is tert-butyl 2-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)acetate
PubChem CID155587149
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Nametert-butyl 2-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)acetate
SMILESCC(C)(C)OC(=O)Cc1ccc(OCc2ccccc2)c2ncnn12
InChIInChI=1S/C19H21N3O3/c1-19(2,3)25-17(23)11-15-9-10-16(18-20-13-21-22(15)18)24-12-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3
InChIKeyYKCOCFSKWGNHTM-UHFFFAOYSA-N
XLogP3.19
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)acetate with MolForge

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Related Compounds

ditert-butyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-4-[[2-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)acetyl]amino]heptanedioate
CID 164941106
tert-butyl 2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)acetate
CID 155587102
tert-butyl 2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)acetate
CID 166517927
[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl] 4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-iodobenzoate
CID 155587044
tert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate
CID 70856270
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175
tert-butyl 2-[3-methoxy-4-[(2-phenylmethoxyphenyl)carbamoylamino]phenyl]acetate
CID 23511829
tert-butyl (E)-3-(2,3-dimethyl-4-phenylmethoxyphenyl)prop-2-enoate
CID 90417960
methyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypyridine-2-carboxylate
CID 178148128
tert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate
CID 54470705
tert-butyl 2-(2-phenylmethoxy-6,7-dihydropyrido[1,2-a]indol-9-yl)acetate
CID 69416960
tert-butyl 2-[(7-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)amino]acetate
CID 67615037

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)acetate?
The IUPAC name of tert-butyl 2-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)acetate (CID 155587149) is tert-butyl 2-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)acetate.
What is the SMILES notation for tert-butyl 2-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)acetate?
The canonical SMILES for tert-butyl 2-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)acetate is CC(C)(C)OC(=O)Cc1ccc(OCc2ccccc2)c2ncnn12.
What is the InChIKey of tert-butyl 2-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)acetate?
The InChIKey is YKCOCFSKWGNHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-19(2,3)25-17(23)11-15-9-10-16(18-20-13-21-22(15)18)24-12-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3.
What are the key properties of tert-butyl 2-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)acetate?
tert-butyl 2-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)acetate has a molecular weight of 339.39 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)acetate is sourced from PubChem (CID 155587149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).