tert-butyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate

C17H32N4O3Si — CID 23631416

IUPACtert-butyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2cnnn2C[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32N4O3Si/c1-16(2,3)24-15(22)20-10-13-9-18-19-21(13)11-14(20)12-23-25(7,8)17(4,5)6/h9,14H,10-12H2,1-8H3/t14-/m1/s1
InChIKeyRRNBNXQDVPJKND-CQSZACIVSA-N
MW368.55 g/mol
LogP3.42
Rot. Bonds3

About tert-butyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate

tert-butyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 23631416) has the molecular formula C17H32N4O3Si and a molecular weight of 368.55 g/mol. Its IUPAC name is tert-butyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID23631416
Molecular FormulaC17H32N4O3Si
Molecular Weight368.55 g/mol
Exact Mass368.22
IUPAC Nametert-butyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2cnnn2C[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32N4O3Si/c1-16(2,3)24-15(22)20-10-13-9-18-19-21(13)11-14(20)12-23-25(7,8)17(4,5)6/h9,14H,10-12H2,1-8H3/t14-/m1/s1
InChIKeyRRNBNXQDVPJKND-CQSZACIVSA-N
XLogP3.42
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepiperidine-1-carboxylate
CID 66733909
tert-butyl (2S,6S)-4-oxa-1,7,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene-7-carboxylate
CID 42611649
tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylate
CID 67633255
tert-butyl (2S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 66733511
tert-butyl (2R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate
CID 178182927
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate
CID 10852705
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 123400116
tert-butyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]pyrrolidine-1-carboxylate
CID 56595124
tert-butyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
CID 169084975
tert-butyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopiperazine-1-carboxylate
CID 170904003
tert-butyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(Z)-3,3,3-trifluoroprop-1-enyl]pyrrolidine-1-carboxylate
CID 145444558
tert-butyl 2-[2-(3-amino-5-fluoro-4-pyridinyl)ethynyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholine-4-carboxylate
CID 144871019

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of tert-butyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate (CID 23631416) is tert-butyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for tert-butyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for tert-butyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate is CC(C)(C)OC(=O)N1Cc2cnnn2C[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is RRNBNXQDVPJKND-CQSZACIVSA-N. The full InChI is InChI=1S/C17H32N4O3Si/c1-16(2,3)24-15(22)20-10-13-9-18-19-21(13)11-14(20)12-23-25(7,8)17(4,5)6/h9,14H,10-12H2,1-8H3/t14-/m1/s1.
What are the key properties of tert-butyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate?
tert-butyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 368.55 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 23631416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).