tert-butyl N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate

C13H22N4O2 — CID 71758693

IUPACtert-butyl N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1nnc2n1CCCC2
InChIInChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)14-8-7-11-16-15-10-6-4-5-9-17(10)11/h4-9H2,1-3H3,(H,14,18)
InChIKeyUHLCIUOREURQFY-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.68
Rot. Bonds3

About tert-butyl N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate

tert-butyl N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate (PubChem CID 71758693) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate
PubChem CID71758693
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Nametert-butyl N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1nnc2n1CCCC2
InChIInChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)14-8-7-11-16-15-10-6-4-5-9-17(10)11/h4-9H2,1-3H3,(H,14,18)
InChIKeyUHLCIUOREURQFY-UHFFFAOYSA-N
XLogP1.68
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate with MolForge

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Related Compounds

tert-butyl 3-(piperidin-4-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 66509378
tert-butyl 4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}piperidine-1-carboxylate
CID 102604402
tert-butyl N-[2-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]ethyl]carbamate
CID 75426575
tert-Butyl 3-(piperidin-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate
CID 110246156
tert-butyl 3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}azetidine-1-carboxylate
CID 165944365
Tert-butyl 2-[1-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]ethyl]pyrrolidine-1-carboxylate
CID 86784345
Tert-butyl 2-[1-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]ethyl]pyrrolidine-1-carboxylate
CID 86784788
Tert-butyl 3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidine-1-carboxylate
CID 91660049
tert-butyl N-{[6-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}carbamate
CID 119106373
Tert-butyl ((7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)carbamate
CID 119106378
tert-butyl N-[[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]carbamate
CID 176089391
tert-Butyl 3-(aminomethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate
CID 71305914

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate (CID 71758693) is tert-butyl N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCc1nnc2n1CCCC2.
What is the InChIKey of tert-butyl N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate?
The InChIKey is UHLCIUOREURQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)14-8-7-11-16-15-10-6-4-5-9-17(10)11/h4-9H2,1-3H3,(H,14,18).
What are the key properties of tert-butyl N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate?
tert-butyl N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate has a molecular weight of 266.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate is sourced from PubChem (CID 71758693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).