(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)boronic acid

C11H15BN4O3 — CID 169077559

IUPAC(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)boronic acid
SMILESCc1nc2c(N3CCOCC3)c(B(O)O)ccn2n1
InChIInChI=1S/C11H15BN4O3/c1-8-13-11-10(15-4-6-19-7-5-15)9(12(17)18)2-3-16(11)14-8/h2-3,17-18H,4-7H2,1H3
InChIKeyWFLSLZOSPADVLJ-UHFFFAOYSA-N
MW262.08 g/mol
LogP-1.45
Rot. Bonds2

About (2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)boronic acid

(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)boronic acid (PubChem CID 169077559) has the molecular formula C11H15BN4O3 and a molecular weight of 262.08 g/mol. Its IUPAC name is (2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)boronic acid.

Molecular Properties

Compound Name(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)boronic acid
PubChem CID169077559
Molecular FormulaC11H15BN4O3
Molecular Weight262.08 g/mol
Exact Mass262.12
IUPAC Name(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)boronic acid
SMILESCc1nc2c(N3CCOCC3)c(B(O)O)ccn2n1
InChIInChI=1S/C11H15BN4O3/c1-8-13-11-10(15-4-6-19-7-5-15)9(12(17)18)2-3-16(11)14-8/h2-3,17-18H,4-7H2,1H3
InChIKeyWFLSLZOSPADVLJ-UHFFFAOYSA-N
XLogP-1.45
TPSA83.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.08
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)boronic acid
CID 130120199
4-(4,6-dimethyl-1,3,5-triazin-2-yl)morpholine;ethane
CID 159951324
4-(2,7-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine
CID 145420374
4-(3,6-dimethyl-2-pyridinyl)morpholine
CID 135214290
4-(9-ethyl-2-methylpurin-6-yl)morpholine
CID 168920801
2-methyl-6-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109365473
4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
CID 112869889
4-N-cyclopropyl-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112867594
[2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365637
4-N-(2-methoxyphenyl)-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112878299
4-[2-methyl-6-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 155800928
2-methyl-4-N-(2-morpholin-4-ylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112873778

Frequently Asked Questions

What is the IUPAC name of (2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)boronic acid?
The IUPAC name of (2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)boronic acid (CID 169077559) is (2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)boronic acid.
What is the SMILES notation for (2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)boronic acid?
The canonical SMILES for (2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)boronic acid is Cc1nc2c(N3CCOCC3)c(B(O)O)ccn2n1.
What is the InChIKey of (2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)boronic acid?
The InChIKey is WFLSLZOSPADVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BN4O3/c1-8-13-11-10(15-4-6-19-7-5-15)9(12(17)18)2-3-16(11)14-8/h2-3,17-18H,4-7H2,1H3.
What are the key properties of (2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)boronic acid?
(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)boronic acid has a molecular weight of 262.08 g/mol, XLogP of -1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)boronic acid is sourced from PubChem (CID 169077559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).