tert-butyl-[(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-diphenylsilane

C25H31N3OSi — CID 140926704

IUPACtert-butyl-[(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC1CCc2nnc(C3CC3)n2C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H31N3OSi/c1-25(2,3)30(21-10-6-4-7-11-21,22-12-8-5-9-13-22)29-20-16-17-23-26-27-24(19-14-15-19)28(23)18-20/h4-13,19-20H,14-18H2,1-3H3
InChIKeyRBOIMTWZUJCWDW-UHFFFAOYSA-N
MW417.63 g/mol
LogP4.05
Rot. Bonds5

About tert-butyl-[(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-diphenylsilane

tert-butyl-[(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-diphenylsilane (PubChem CID 140926704) has the molecular formula C25H31N3OSi and a molecular weight of 417.63 g/mol. Its IUPAC name is tert-butyl-[(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-diphenylsilane
PubChem CID140926704
Molecular FormulaC25H31N3OSi
Molecular Weight417.63 g/mol
Exact Mass417.22
IUPAC Nametert-butyl-[(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC1CCc2nnc(C3CC3)n2C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H31N3OSi/c1-25(2,3)30(21-10-6-4-7-11-21,22-12-8-5-9-13-22)29-20-16-17-23-26-27-24(19-14-15-19)28(23)18-20/h4-13,19-20H,14-18H2,1-3H3
InChIKeyRBOIMTWZUJCWDW-UHFFFAOYSA-N
XLogP4.05
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.63
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 tert-butyl-[(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-diphenylsilane (CID 140926704) is tert-butyl-[(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-diphenylsilane is CC(C)(C)[Si](OC1CCc2nnc(C3CC3)n2C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-diphenylsilane?
The InChIKey is RBOIMTWZUJCWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3OSi/c1-25(2,3)30(21-10-6-4-7-11-21,22-12-8-5-9-13-22)29-20-16-17-23-26-27-24(19-14-15-19)28(23)18-20/h4-13,19-20H,14-18H2,1-3H3.
What are the key properties of tert-butyl-[(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-diphenylsilane?
tert-butyl-[(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-diphenylsilane has a molecular weight of 417.63 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-diphenylsilane is sourced from PubChem (CID 140926704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).