3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

C11H13N3O3 — CID 103022465

IUPAC3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESCOC(C)(C)c1nnc2ccc(C(=O)O)cn12
InChIInChI=1S/C11H13N3O3/c1-11(2,17-3)10-13-12-8-5-4-7(9(15)16)6-14(8)10/h4-6H,1-3H3,(H,15,16)
InChIKeyJNUCMRIYPVKQHG-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.31
Rot. Bonds3

About 3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 103022465) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
PubChem CID103022465
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESCOC(C)(C)c1nnc2ccc(C(=O)O)cn12
InChIInChI=1S/C11H13N3O3/c1-11(2,17-3)10-13-12-8-5-4-7(9(15)16)6-14(8)10/h4-6H,1-3H3,(H,15,16)
InChIKeyJNUCMRIYPVKQHG-UHFFFAOYSA-N
XLogP1.31
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117257179
3-tert-butyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134796654
3-pentyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62387950
3-heptyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 55068173
3-octyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 65427572
3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62390046
3-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62388963
3-[(4-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117257215
3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62389506
methyl 3-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384667
3-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62919620
3-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62390041

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 103022465) is 3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is COC(C)(C)c1nnc2ccc(C(=O)O)cn12.
What is the InChIKey of 3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The InChIKey is JNUCMRIYPVKQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-11(2,17-3)10-13-12-8-5-4-7(9(15)16)6-14(8)10/h4-6H,1-3H3,(H,15,16).
What are the key properties of 3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 103022465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).