2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid

C9H9N3O2 — CID 155820696

IUPAC2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
SMILESCc1nc2c(C)cc(C(=O)O)cn2n1
InChIInChI=1S/C9H9N3O2/c1-5-3-7(9(13)14)4-12-8(5)10-6(2)11-12/h3-4H,1-2H3,(H,13,14)
InChIKeyJZYINSINTJBHLZ-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.04
Rot. Bonds1

About 2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid

2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 155820696) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
PubChem CID155820696
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
SMILESCc1nc2c(C)cc(C(=O)O)cn2n1
InChIInChI=1S/C9H9N3O2/c1-5-3-7(9(13)14)4-12-8(5)10-6(2)11-12/h3-4H,1-2H3,(H,13,14)
InChIKeyJZYINSINTJBHLZ-UHFFFAOYSA-N
XLogP1.04
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid (CID 155820696) is 2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid is Cc1nc2c(C)cc(C(=O)O)cn2n1.
What is the InChIKey of 2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is JZYINSINTJBHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-5-3-7(9(13)14)4-12-8(5)10-6(2)11-12/h3-4H,1-2H3,(H,13,14).
What are the key properties of 2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 155820696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).