2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid

C15H17N3O4 — CID 82567876

IUPAC2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
SMILESCOc1ccc(-c2nc3n(n2)CC(C(=O)O)CC3)cc1OC
InChIInChI=1S/C15H17N3O4/c1-21-11-5-3-9(7-12(11)22-2)14-16-13-6-4-10(15(19)20)8-18(13)17-14/h3,5,7,10H,4,6,8H2,1-2H3,(H,19,20)
InChIKeyUCRLRXAAKIDOLY-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.61
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid

2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 82567876) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
PubChem CID82567876
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
SMILESCOc1ccc(-c2nc3n(n2)CC(C(=O)O)CC3)cc1OC
InChIInChI=1S/C15H17N3O4/c1-21-11-5-3-9(7-12(11)22-2)14-16-13-6-4-10(15(19)20)8-18(13)17-14/h3,5,7,10H,4,6,8H2,1-2H3,(H,19,20)
InChIKeyUCRLRXAAKIDOLY-UHFFFAOYSA-N
XLogP1.61
TPSA86.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid with MolForge

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Related Compounds

2-(3,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 82567877
2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 82567852
5-(6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methoxyaniline
CID 83966817
2-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol
CID 3718178
(3S)-1-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxylic acid
CID 39334602
1-[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354559
2-(3,4-dimethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 83966438
1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
CID 82537806
2-(1,1-dioxothiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117153310
methyl 3-chloro-1-(3,4-dimethoxyphenyl)-4-methyl-5,6,7,8-tetrahydroisoquinoline-6-carboxylate
CID 134913357
1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxylic acid
CID 52903711
2-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 53214897

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid (CID 82567876) is 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid is COc1ccc(-c2nc3n(n2)CC(C(=O)O)CC3)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is UCRLRXAAKIDOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-21-11-5-3-9(7-12(11)22-2)14-16-13-6-4-10(15(19)20)8-18(13)17-14/h3,5,7,10H,4,6,8H2,1-2H3,(H,19,20).
What are the key properties of 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 82567876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).