6-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid

C11H13N3O2 — CID 165483147

IUPAC6-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESCCc1c(C)cc2nc(C)nn2c1C(=O)O
InChIInChI=1S/C11H13N3O2/c1-4-8-6(2)5-9-12-7(3)13-14(9)10(8)11(15)16/h5H,4H2,1-3H3,(H,15,16)
InChIKeyVETKPQYNFBHUHH-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.61
Rot. Bonds2

About 6-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid

6-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 165483147) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID165483147
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name6-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESCCc1c(C)cc2nc(C)nn2c1C(=O)O
InChIInChI=1S/C11H13N3O2/c1-4-8-6(2)5-9-12-7(3)13-14(9)10(8)11(15)16/h5H,4H2,1-3H3,(H,15,16)
InChIKeyVETKPQYNFBHUHH-UHFFFAOYSA-N
XLogP1.61
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-Diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 771943
5-Phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 655493
7-Methyl-5-phenylpyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 776256
2,7-Dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 7061944
3-Bromo-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 807578
3,6-Dimethyl-1-p-tolyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16019035
1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7174598
5-(4-Fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 781426
5-(4-Methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 3124928
3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7174615
6-(4-Methyl-3,5-diphenylpyrazol-1-yl)pyridine-2-carboxylic acid
CID 68329573
5-(4-Fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 847248

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 6-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (CID 165483147) is 6-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 6-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 6-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is CCc1c(C)cc2nc(C)nn2c1C(=O)O.
What is the InChIKey of 6-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is VETKPQYNFBHUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-4-8-6(2)5-9-12-7(3)13-14(9)10(8)11(15)16/h5H,4H2,1-3H3,(H,15,16).
What are the key properties of 6-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
6-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 165483147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).