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

C23H29N3OSi — CID 140943337

IUPACtert-butyl-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-diphenylsilane
SMILESCc1nnc2n1CC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC2
InChIInChI=1S/C23H29N3OSi/c1-18-24-25-22-16-15-19(17-26(18)22)27-28(23(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19H,15-17H2,1-4H3
InChIKeyVLSAJECSWNOTFO-UHFFFAOYSA-N
MW391.59 g/mol
LogP3.48
Rot. Bonds4

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

tert-butyl-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-diphenylsilane (PubChem CID 140943337) has the molecular formula C23H29N3OSi and a molecular weight of 391.59 g/mol. Its IUPAC name is tert-butyl-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-diphenylsilane
PubChem CID140943337
Molecular FormulaC23H29N3OSi
Molecular Weight391.59 g/mol
Exact Mass391.21
IUPAC Nametert-butyl-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-diphenylsilane
SMILESCc1nnc2n1CC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC2
InChIInChI=1S/C23H29N3OSi/c1-18-24-25-22-16-15-19(17-26(18)22)27-28(23(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19H,15-17H2,1-4H3
InChIKeyVLSAJECSWNOTFO-UHFFFAOYSA-N
XLogP3.48
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.59
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-[(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-diphenylsilane
CID 140926704
Tert-butyl-[[4-methyl-5-(4-methylcyclohexyl)-1,2,4-triazol-3-yl]methoxy]-diphenylsilane
CID 150294922
tert-butyl-[[(6S)-3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-diphenylsilane
CID 173613463

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-diphenylsilane (CID 140943337) is tert-butyl-[(3-methyl-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-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-diphenylsilane is Cc1nnc2n1CC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC2.
What is the InChIKey of tert-butyl-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-diphenylsilane?
The InChIKey is VLSAJECSWNOTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3OSi/c1-18-24-25-22-16-15-19(17-26(18)22)27-28(23(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19H,15-17H2,1-4H3.
What are the key properties of tert-butyl-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-diphenylsilane?
tert-butyl-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-diphenylsilane has a molecular weight of 391.59 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-diphenylsilane is sourced from PubChem (CID 140943337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).