6-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-2-carboxylic acid

C14H17N5O3 — CID 122054319

IUPAC6-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-2-carboxylic acid
SMILESCOCc1nc2n(n1)CC(Nc1cccc(C(=O)O)n1)CC2
InChIInChI=1S/C14H17N5O3/c1-22-8-12-17-13-6-5-9(7-19(13)18-12)15-11-4-2-3-10(16-11)14(20)21/h2-4,9H,5-8H2,1H3,(H,15,16)(H,20,21)
InChIKeyUUMNABSTOOPCCJ-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.94
Rot. Bonds5

About 6-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-2-carboxylic acid

6-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-2-carboxylic acid (PubChem CID 122054319) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 6-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-2-carboxylic acid
PubChem CID122054319
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name6-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-2-carboxylic acid
SMILESCOCc1nc2n(n1)CC(Nc1cccc(C(=O)O)n1)CC2
InChIInChI=1S/C14H17N5O3/c1-22-8-12-17-13-6-5-9(7-19(13)18-12)15-11-4-2-3-10(16-11)14(20)21/h2-4,9H,5-8H2,1H3,(H,15,16)(H,20,21)
InChIKeyUUMNABSTOOPCCJ-UHFFFAOYSA-N
XLogP0.94
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-2-carboxylic acid (CID 122054319) is 6-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-2-carboxylic acid is COCc1nc2n(n1)CC(Nc1cccc(C(=O)O)n1)CC2.
What is the InChIKey of 6-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is UUMNABSTOOPCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-22-8-12-17-13-6-5-9(7-19(13)18-12)15-11-4-2-3-10(16-11)14(20)21/h2-4,9H,5-8H2,1H3,(H,15,16)(H,20,21).
What are the key properties of 6-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-2-carboxylic acid?
6-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122054319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).