[5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]boronic acid

C15H24BN3O3Si — CID 170547677

IUPAC[5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]boronic acid
SMILESCC(C)(C)[Si](C)(C)OC1(c2ccc(B(O)O)c3ncnn23)CC1
InChIInChI=1S/C15H24BN3O3Si/c1-14(2,3)23(4,5)22-15(8-9-15)12-7-6-11(16(20)21)13-17-10-18-19(12)13/h6-7,10,20-21H,8-9H2,1-5H3
InChIKeyWKXGDTMJYUWVEU-UHFFFAOYSA-N
MW333.27 g/mol
LogP1.42
Rot. Bonds4

About [5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]boronic acid

[5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]boronic acid (PubChem CID 170547677) has the molecular formula C15H24BN3O3Si and a molecular weight of 333.27 g/mol. Its IUPAC name is [5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]boronic acid.

Molecular Properties

Compound Name[5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]boronic acid
PubChem CID170547677
Molecular FormulaC15H24BN3O3Si
Molecular Weight333.27 g/mol
Exact Mass333.17
IUPAC Name[5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]boronic acid
SMILESCC(C)(C)[Si](C)(C)OC1(c2ccc(B(O)O)c3ncnn23)CC1
InChIInChI=1S/C15H24BN3O3Si/c1-14(2,3)23(4,5)22-15(8-9-15)12-7-6-11(16(20)21)13-17-10-18-19(12)13/h6-7,10,20-21H,8-9H2,1-5H3
InChIKeyWKXGDTMJYUWVEU-UHFFFAOYSA-N
XLogP1.42
TPSA79.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]boronic acid?
The IUPAC name of [5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]boronic acid (CID 170547677) is [5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]boronic acid.
What is the SMILES notation for [5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]boronic acid?
The canonical SMILES for [5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]boronic acid is CC(C)(C)[Si](C)(C)OC1(c2ccc(B(O)O)c3ncnn23)CC1.
What is the InChIKey of [5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]boronic acid?
The InChIKey is WKXGDTMJYUWVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BN3O3Si/c1-14(2,3)23(4,5)22-15(8-9-15)12-7-6-11(16(20)21)13-17-10-18-19(12)13/h6-7,10,20-21H,8-9H2,1-5H3.
What are the key properties of [5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]boronic acid?
[5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]boronic acid has a molecular weight of 333.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]boronic acid is sourced from PubChem (CID 170547677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).