tert-butyl N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate;ethyl formate

C14H20N4O4 — CID 160959566

IUPACtert-butyl N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate;ethyl formate
SMILESCC(C)(C)OC(=O)Nc1ccn2ncnc2c1.CCOC=O
InChIInChI=1S/C11H14N4O2.C3H6O2/c1-11(2,3)17-10(16)14-8-4-5-15-9(6-8)12-7-13-15;1-2-5-3-4/h4-7H,1-3H3,(H,14,16);3H,2H2,1H3
InChIKeySWVJSJJOERYOBI-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.26
Rot. Bonds3

About tert-butyl N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate;ethyl formate

tert-butyl N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate;ethyl formate (PubChem CID 160959566) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is tert-butyl N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate;ethyl formate.

Molecular Properties

Compound Nametert-butyl N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate;ethyl formate
PubChem CID160959566
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Nametert-butyl N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate;ethyl formate
SMILESCC(C)(C)OC(=O)Nc1ccn2ncnc2c1.CCOC=O
InChIInChI=1S/C11H14N4O2.C3H6O2/c1-11(2,3)17-10(16)14-8-4-5-15-9(6-8)12-7-13-15;1-2-5-3-4/h4-7H,1-3H3,(H,14,16);3H,2H2,1H3
InChIKeySWVJSJJOERYOBI-UHFFFAOYSA-N
XLogP2.26
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate;ethyl formate?
The IUPAC name of tert-butyl N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate;ethyl formate (CID 160959566) is tert-butyl N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate;ethyl formate.
What is the SMILES notation for tert-butyl N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate;ethyl formate?
The canonical SMILES for tert-butyl N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate;ethyl formate is CC(C)(C)OC(=O)Nc1ccn2ncnc2c1.CCOC=O.
What is the InChIKey of tert-butyl N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate;ethyl formate?
The InChIKey is SWVJSJJOERYOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2.C3H6O2/c1-11(2,3)17-10(16)14-8-4-5-15-9(6-8)12-7-13-15;1-2-5-3-4/h4-7H,1-3H3,(H,14,16);3H,2H2,1H3.
What are the key properties of tert-butyl N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate;ethyl formate?
tert-butyl N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate;ethyl formate has a molecular weight of 308.34 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate;ethyl formate is sourced from PubChem (CID 160959566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).