7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

C18H18N4O3 — CID 177042674

IUPAC7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCc1ccc(O)c(C)c1-c1cn2nc(C3CC3)nc2c(C(=O)O)c1N
InChIInChI=1S/C18H18N4O3/c1-8-3-6-12(23)9(2)13(8)11-7-22-17(14(15(11)19)18(24)25)20-16(21-22)10-4-5-10/h3,6-7,10,23H,4-5,19H2,1-2H3,(H,24,25)
InChIKeyPPILCUVWTDQIOT-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.88
Rot. Bonds3

About 7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 177042674) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
PubChem CID177042674
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCc1ccc(O)c(C)c1-c1cn2nc(C3CC3)nc2c(C(=O)O)c1N
InChIInChI=1S/C18H18N4O3/c1-8-3-6-12(23)9(2)13(8)11-7-22-17(14(15(11)19)18(24)25)20-16(21-22)10-4-5-10/h3,6-7,10,23H,4-5,19H2,1-2H3,(H,24,25)
InChIKeyPPILCUVWTDQIOT-UHFFFAOYSA-N
XLogP2.88
TPSA113.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (CID 177042674) is 7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is Cc1ccc(O)c(C)c1-c1cn2nc(C3CC3)nc2c(C(=O)O)c1N.
What is the InChIKey of 7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is PPILCUVWTDQIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-8-3-6-12(23)9(2)13(8)11-7-22-17(14(15(11)19)18(24)25)20-16(21-22)10-4-5-10/h3,6-7,10,23H,4-5,19H2,1-2H3,(H,24,25).
What are the key properties of 7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 338.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-cyclopropyl-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 177042674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).