methyl 2-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate

C13H17N3O2 — CID 117135296

IUPACmethyl 2-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2nc(CC(C)(C)C)nc2c1
InChIInChI=1S/C13H17N3O2/c1-13(2,3)8-10-14-11-7-9(12(17)18-4)5-6-16(11)15-10/h5-7H,8H2,1-4H3
InChIKeyRYPLRLNXFUTWBB-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.10
Rot. Bonds2

About methyl 2-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate

methyl 2-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate (PubChem CID 117135296) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is methyl 2-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
PubChem CID117135296
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Namemethyl 2-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2nc(CC(C)(C)C)nc2c1
InChIInChI=1S/C13H17N3O2/c1-13(2,3)8-10-14-11-7-9(12(17)18-4)5-6-16(11)15-10/h5-7H,8H2,1-4H3
InChIKeyRYPLRLNXFUTWBB-UHFFFAOYSA-N
XLogP2.10
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate with MolForge

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Related Compounds

methyl 2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117135307
methyl 2-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117257939
methyl 2-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117257964
methyl 2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117134480
methyl 2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117134868
methyl 2-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117134728
methyl 2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117134866
methyl 2-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 82567133
methyl 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetate
CID 116990029
2-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 83965732
methyl 2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567227
methyl 2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117133580

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of methyl 2-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate (CID 117135296) is methyl 2-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 2-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate is COC(=O)c1ccn2nc(CC(C)(C)C)nc2c1.
What is the InChIKey of methyl 2-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
The InChIKey is RYPLRLNXFUTWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2,3)8-10-14-11-7-9(12(17)18-4)5-6-16(11)15-10/h5-7H,8H2,1-4H3.
What are the key properties of methyl 2-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
methyl 2-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate has a molecular weight of 247.30 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 117135296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).