methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate

C11H11F3N4O3 — CID 166392936

IUPACmethyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(NCC(O)C(F)(F)F)nn2c1
InChIInChI=1S/C11H11F3N4O3/c1-21-9(20)6-2-3-8-16-10(17-18(8)5-6)15-4-7(19)11(12,13)14/h2-3,5,7,19H,4H2,1H3,(H,15,17)
InChIKeySNYQGQBQAUOHOY-UHFFFAOYSA-N
MW304.23 g/mol
LogP0.85
Rot. Bonds4

About methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate

methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate (PubChem CID 166392936) has the molecular formula C11H11F3N4O3 and a molecular weight of 304.23 g/mol. Its IUPAC name is methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
PubChem CID166392936
Molecular FormulaC11H11F3N4O3
Molecular Weight304.23 g/mol
Exact Mass304.08
IUPAC Namemethyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(NCC(O)C(F)(F)F)nn2c1
InChIInChI=1S/C11H11F3N4O3/c1-21-9(20)6-2-3-8-16-10(17-18(8)5-6)15-4-7(19)11(12,13)14/h2-3,5,7,19H,4H2,1H3,(H,15,17)
InChIKeySNYQGQBQAUOHOY-UHFFFAOYSA-N
XLogP0.85
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate with MolForge

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Related Compounds

methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567225
methyl 2-chloro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 130871543
methyl 4-[(6-hydroxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzoate
CID 110455111
methyl 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567251
methyl 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117257789
methyl 4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]benzoate
CID 103920556
methyl 4-(3,3,3-trifluoro-2-hydroxypropoxy)benzoate
CID 65019211
methyl 2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117130631
methyl 2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567227
methyl 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117130742
methyl 2-(5-bromo-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567260
methyl 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567266

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate (CID 166392936) is methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(NCC(O)C(F)(F)F)nn2c1.
What is the InChIKey of methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
The InChIKey is SNYQGQBQAUOHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O3/c1-21-9(20)6-2-3-8-16-10(17-18(8)5-6)15-4-7(19)11(12,13)14/h2-3,5,7,19H,4H2,1H3,(H,15,17).
What are the key properties of methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate has a molecular weight of 304.23 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 166392936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).