tert-butyl N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxan-4-yl]carbamate

C16H22N4O3 — CID 168894294

IUPACtert-butyl N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxan-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCOC(c2nnc3ccccn23)C1
InChIInChI=1S/C16H22N4O3/c1-16(2,3)23-15(21)17-11-7-9-22-12(10-11)14-19-18-13-6-4-5-8-20(13)14/h4-6,8,11-12H,7,9-10H2,1-3H3,(H,17,21)
InChIKeyGHLHIHZTZULGQF-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.47
Rot. Bonds2

About tert-butyl N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxan-4-yl]carbamate

tert-butyl N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxan-4-yl]carbamate (PubChem CID 168894294) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is tert-butyl N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxan-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxan-4-yl]carbamate
PubChem CID168894294
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Nametert-butyl N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxan-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCOC(c2nnc3ccccn23)C1
InChIInChI=1S/C16H22N4O3/c1-16(2,3)23-15(21)17-11-7-9-22-12(10-11)14-19-18-13-6-4-5-8-20(13)14/h4-6,8,11-12H,7,9-10H2,1-3H3,(H,17,21)
InChIKeyGHLHIHZTZULGQF-UHFFFAOYSA-N
XLogP2.47
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanoyl]piperidin-4-yl]carbamate
CID 71829080
tert-butyl N-(2-methyloxan-4-yl)carbamate
CID 103887643
tert-butyl N-[(1S,3S)-3-[[5-(oxetan-2-yl)pyrimidin-2-yl]amino]cyclopentyl]carbamate
CID 178129219
tert-butyl N-[(1R,2R)-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]cyclooctyl]carbamate
CID 96540508
tert-butyl N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate
CID 12000312
tert-butyl N-[(1R,3S)-3-(7-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]carbamate
CID 168893773
tert-butyl N-[(1R,3S)-3-(7-cyclopropylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]carbamate
CID 175891256
tert-butyl N-[1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidin-4-yl]carbamate
CID 60507246
tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 129371230
tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate
CID 107849928
tert-butyl N-(8-phenyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
CID 167388554
3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138986

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxan-4-yl]carbamate?
The IUPAC name of tert-butyl N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxan-4-yl]carbamate (CID 168894294) is tert-butyl N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxan-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxan-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxan-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCOC(c2nnc3ccccn23)C1.
What is the InChIKey of tert-butyl N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxan-4-yl]carbamate?
The InChIKey is GHLHIHZTZULGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-16(2,3)23-15(21)17-11-7-9-22-12(10-11)14-19-18-13-6-4-5-8-20(13)14/h4-6,8,11-12H,7,9-10H2,1-3H3,(H,17,21).
What are the key properties of tert-butyl N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxan-4-yl]carbamate?
tert-butyl N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxan-4-yl]carbamate has a molecular weight of 318.38 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxan-4-yl]carbamate is sourced from PubChem (CID 168894294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).