methyl 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

C11H13N3O2 — CID 84614376

IUPACmethyl 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nnc(C(C)C)n2c1
InChIInChI=1S/C11H13N3O2/c1-7(2)10-13-12-9-5-4-8(6-14(9)10)11(15)16-3/h4-7H,1-3H3
InChIKeyUKJAIRMTFAPDMP-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.64
Rot. Bonds2

About methyl 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

methyl 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (PubChem CID 84614376) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
PubChem CID84614376
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Namemethyl 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nnc(C(C)C)n2c1
InChIInChI=1S/C11H13N3O2/c1-7(2)10-13-12-9-5-4-8(6-14(9)10)11(15)16-3/h4-7H,1-3H3
InChIKeyUKJAIRMTFAPDMP-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 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (CID 84614376) is methyl 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate is COC(=O)c1ccc2nnc(C(C)C)n2c1.
What is the InChIKey of methyl 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The InChIKey is UKJAIRMTFAPDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(2)10-13-12-9-5-4-8(6-14(9)10)11(15)16-3/h4-7H,1-3H3.
What are the key properties of methyl 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
methyl 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-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 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate is sourced from PubChem (CID 84614376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).