methyl 2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate

C12H13N3O2 — CID 117137744

IUPACmethyl 2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2nc(C3CCC3)nc12
InChIInChI=1S/C12H13N3O2/c1-17-12(16)9-6-3-7-15-11(9)13-10(14-15)8-4-2-5-8/h3,6-8H,2,4-5H2,1H3
InChIKeyRQPWURVUSLADNM-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.78
Rot. Bonds2

About methyl 2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate

methyl 2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (PubChem CID 117137744) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is methyl 2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
PubChem CID117137744
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Namemethyl 2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2nc(C3CCC3)nc12
InChIInChI=1S/C12H13N3O2/c1-17-12(16)9-6-3-7-15-11(9)13-10(14-15)8-4-2-5-8/h3,6-8H,2,4-5H2,1H3
InChIKeyRQPWURVUSLADNM-UHFFFAOYSA-N
XLogP1.78
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117136382
2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 117137741
N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)propanamide
CID 53190518
N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)cyclopropanecarboxamide
CID 53190499
methyl 2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117136907
2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117135997
5-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzamide
CID 53190512
1-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-N-methylmethanamine
CID 83866121
N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-phenoxyacetamide
CID 53190515
N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-fluorobenzamide
CID 53190492
methyl 2-[(4-hydroxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117258112
(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanamine
CID 83866114

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (CID 117137744) is methyl 2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is COC(=O)c1cccn2nc(C3CCC3)nc12.
What is the InChIKey of methyl 2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The InChIKey is RQPWURVUSLADNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-17-12(16)9-6-3-7-15-11(9)13-10(14-15)8-4-2-5-8/h3,6-8H,2,4-5H2,1H3.
What are the key properties of methyl 2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
methyl 2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 117137744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).