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

C10H12BN3O3 — CID 58074662

IUPAC(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)boronic acid
SMILESCOc1ccc(B(O)O)n2nc(C3CC3)nc12
InChIInChI=1S/C10H12BN3O3/c1-17-7-4-5-8(11(15)16)14-10(7)12-9(13-14)6-2-3-6/h4-6,15-16H,2-3H2,1H3
InChIKeyZHFCJWBHHGGVQG-UHFFFAOYSA-N
MW233.04 g/mol
LogP-0.70
Rot. Bonds3

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

(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)boronic acid (PubChem CID 58074662) has the molecular formula C10H12BN3O3 and a molecular weight of 233.04 g/mol. Its IUPAC name is (2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)boronic acid.

Molecular Properties

Compound Name(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)boronic acid
PubChem CID58074662
Molecular FormulaC10H12BN3O3
Molecular Weight233.04 g/mol
Exact Mass233.10
IUPAC Name(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)boronic acid
SMILESCOc1ccc(B(O)O)n2nc(C3CC3)nc12
InChIInChI=1S/C10H12BN3O3/c1-17-7-4-5-8(11(15)16)14-10(7)12-9(13-14)6-2-3-6/h4-6,15-16H,2-3H2,1H3
InChIKeyZHFCJWBHHGGVQG-UHFFFAOYSA-N
XLogP-0.70
TPSA79.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.04
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 88576732
CID 88576732
2-cyclopropyl-8-methoxy-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 46833824
methyl 6-amino-5-methoxypyridine-2-carboxylate;methyl 2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 162153799
N-[[4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]methyl]acetamide
CID 46834673
2-(2-chlorophenyl)-1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanone;methyl 2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 158737252
2-cyclopropyl-5-iodo-8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 154514161
2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169150760
5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-3-carbonitrile;2-methylsulfonylethylcarbamic acid
CID 118913997
5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one;2-(dimethylsulfamoyl)ethylcarbamic acid
CID 118913996
[2-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-pyrrolidin-1-ylmethanone
CID 50949058
[1-(8-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]methanol
CID 90842028
1-(5-iodo-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonyl iodide
CID 118928451

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)boronic acid?
The IUPAC name of (2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)boronic acid (CID 58074662) is (2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)boronic acid.
What is the SMILES notation for (2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)boronic acid?
The canonical SMILES for (2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)boronic acid is COc1ccc(B(O)O)n2nc(C3CC3)nc12.
What is the InChIKey of (2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)boronic acid?
The InChIKey is ZHFCJWBHHGGVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BN3O3/c1-17-7-4-5-8(11(15)16)14-10(7)12-9(13-14)6-2-3-6/h4-6,15-16H,2-3H2,1H3.
What are the key properties of (2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)boronic acid?
(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)boronic acid has a molecular weight of 233.04 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)boronic acid is sourced from PubChem (CID 58074662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).