4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(hydroxymethyl)benzoic acid

C18H17N3O4 — CID 162645837

IUPAC4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(hydroxymethyl)benzoic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)c(CO)c2)n2nc(C3CC3)nc12
InChIInChI=1S/C18H17N3O4/c1-25-15-7-6-14(21-17(15)19-16(20-21)10-2-3-10)11-4-5-13(18(23)24)12(8-11)9-22/h4-8,10,22H,2-3,9H2,1H3,(H,23,24)
InChIKeyOIYBQXFVTYXDNE-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.47
Rot. Bonds5

About 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(hydroxymethyl)benzoic acid

4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(hydroxymethyl)benzoic acid (PubChem CID 162645837) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(hydroxymethyl)benzoic acid.

Molecular Properties

Compound Name4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(hydroxymethyl)benzoic acid
PubChem CID162645837
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(hydroxymethyl)benzoic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)c(CO)c2)n2nc(C3CC3)nc12
InChIInChI=1S/C18H17N3O4/c1-25-15-7-6-14(21-17(15)19-16(20-21)10-2-3-10)11-4-5-13(18(23)24)12(8-11)9-22/h4-8,10,22H,2-3,9H2,1H3,(H,23,24)
InChIKeyOIYBQXFVTYXDNE-UHFFFAOYSA-N
XLogP2.47
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(hydroxymethyl)benzoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(hydroxymethyl)benzoic acid?
The IUPAC name of 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(hydroxymethyl)benzoic acid (CID 162645837) is 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(hydroxymethyl)benzoic acid.
What is the SMILES notation for 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(hydroxymethyl)benzoic acid?
The canonical SMILES for 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(hydroxymethyl)benzoic acid is COc1ccc(-c2ccc(C(=O)O)c(CO)c2)n2nc(C3CC3)nc12.
What is the InChIKey of 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(hydroxymethyl)benzoic acid?
The InChIKey is OIYBQXFVTYXDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-25-15-7-6-14(21-17(15)19-16(20-21)10-2-3-10)11-4-5-13(18(23)24)12(8-11)9-22/h4-8,10,22H,2-3,9H2,1H3,(H,23,24).
What are the key properties of 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(hydroxymethyl)benzoic acid?
4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(hydroxymethyl)benzoic acid has a molecular weight of 339.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(hydroxymethyl)benzoic acid is sourced from PubChem (CID 162645837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).