methyl 2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate

C11H13N3O2 — CID 117135307

IUPACmethyl 2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2nc(C(C)C)nc2c1
InChIInChI=1S/C11H13N3O2/c1-7(2)10-12-9-6-8(11(15)16-3)4-5-14(9)13-10/h4-7H,1-3H3
InChIKeyQHHIEWGPXXDJEW-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.64
Rot. Bonds2

About methyl 2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate

methyl 2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate (PubChem CID 117135307) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
PubChem CID117135307
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Namemethyl 2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2nc(C(C)C)nc2c1
InChIInChI=1S/C11H13N3O2/c1-7(2)10-12-9-6-8(11(15)16-3)4-5-14(9)13-10/h4-7H,1-3H3
InChIKeyQHHIEWGPXXDJEW-UHFFFAOYSA-N
XLogP1.64
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117135296
methyl 2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117134868
methyl 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117133589
methyl 2-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 82567133
methyl 2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117134866
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-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117133580
1-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanamine
CID 83832634
methyl 2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117134357
methyl 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoate
CID 116990277
methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate
CID 116989721

Frequently Asked Questions

What is the IUPAC name of methyl 2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of methyl 2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate (CID 117135307) is methyl 2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate is COC(=O)c1ccn2nc(C(C)C)nc2c1.
What is the InChIKey of methyl 2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
The InChIKey is QHHIEWGPXXDJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(2)10-12-9-6-8(11(15)16-3)4-5-14(9)13-10/h4-7H,1-3H3.
What are the key properties of methyl 2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
methyl 2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 117135307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).