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

C13H18N4O2 — CID 12000312

IUPACtert-butyl N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1nnc2ccccn12
InChIInChI=1S/C13H18N4O2/c1-9(14-12(18)19-13(2,3)4)11-16-15-10-7-5-6-8-17(10)11/h5-9H,1-4H3,(H,14,18)/t9-/m0/s1
InChIKeyYZUAOVCUGSBIPP-VIFPVBQESA-N
MW262.31 g/mol
LogP2.32
Rot. Bonds2

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

tert-butyl N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate (PubChem CID 12000312) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate
PubChem CID12000312
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Nametert-butyl N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1nnc2ccccn12
InChIInChI=1S/C13H18N4O2/c1-9(14-12(18)19-13(2,3)4)11-16-15-10-7-5-6-8-17(10)11/h5-9H,1-4H3,(H,14,18)/t9-/m0/s1
InChIKeyYZUAOVCUGSBIPP-VIFPVBQESA-N
XLogP2.32
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate (CID 12000312) is tert-butyl N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate is C[C@H](NC(=O)OC(C)(C)C)c1nnc2ccccn12.
What is the InChIKey of tert-butyl N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate?
The InChIKey is YZUAOVCUGSBIPP-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9(14-12(18)19-13(2,3)4)11-16-15-10-7-5-6-8-17(10)11/h5-9H,1-4H3,(H,14,18)/t9-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate?
tert-butyl N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate has a molecular weight of 262.31 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate is sourced from PubChem (CID 12000312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).