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

C12H15N3O2 — CID 115384807

IUPACmethyl 3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
SMILESCCC(C)c1nnc2ccc(C(=O)OC)cn12
InChIInChI=1S/C12H15N3O2/c1-4-8(2)11-14-13-10-6-5-9(7-15(10)11)12(16)17-3/h5-8H,4H2,1-3H3
InChIKeyMMABDYSHGHCOJG-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.03
Rot. Bonds3

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

methyl 3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (PubChem CID 115384807) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl 3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
PubChem CID115384807
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Namemethyl 3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
SMILESCCC(C)c1nnc2ccc(C(=O)OC)cn12
InChIInChI=1S/C12H15N3O2/c1-4-8(2)11-14-13-10-6-5-9(7-15(10)11)12(16)17-3/h5-8H,4H2,1-3H3
InChIKeyMMABDYSHGHCOJG-UHFFFAOYSA-N
XLogP2.03
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-butan-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

Related Compounds

methyl 3-pentan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384750
methyl 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 84614376
methyl 3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384703
methyl 3-(propoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 114018630
methyl 3-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384667
methyl 3-(4-ethylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384647
methyl 3-(4-propan-2-ylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384814
methyl 3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384822
methyl 3-[(cyclopropylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 117257174
methyl 8-chloro-3-pentan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 105393660
methyl 3-(1-methyltriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 112735710
methyl 3-[(1-methoxycyclobutyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 103558070

Frequently Asked Questions

What is the IUPAC name of methyl 3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (CID 115384807) is methyl 3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate is CCC(C)c1nnc2ccc(C(=O)OC)cn12.
What is the InChIKey of methyl 3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The InChIKey is MMABDYSHGHCOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-4-8(2)11-14-13-10-6-5-9(7-15(10)11)12(16)17-3/h5-8H,4H2,1-3H3.
What are the key properties of methyl 3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
methyl 3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate is sourced from PubChem (CID 115384807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).