[(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxolan-2-yl]methanol

C17H29N5O4Si — CID 131743869

IUPAC[(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxolan-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H](c2cnn3c(N)ncnc23)OC1(CO)CO
InChIInChI=1S/C17H29N5O4Si/c1-16(2,3)27(4,5)26-13-6-12(25-17(13,8-23)9-24)11-7-21-22-14(11)19-10-20-15(22)18/h7,10,12-13,23-24H,6,8-9H2,1-5H3,(H2,18,19,20)/t12-,13+/m1/s1
InChIKeyRCVWVCOMFDCZHX-OLZOCXBDSA-N
MW395.54 g/mol
LogP1.28
Rot. Bonds5

About [(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxolan-2-yl]methanol

[(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxolan-2-yl]methanol (PubChem CID 131743869) has the molecular formula C17H29N5O4Si and a molecular weight of 395.54 g/mol. Its IUPAC name is [(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxolan-2-yl]methanol
PubChem CID131743869
Molecular FormulaC17H29N5O4Si
Molecular Weight395.54 g/mol
Exact Mass395.20
IUPAC Name[(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxolan-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H](c2cnn3c(N)ncnc23)OC1(CO)CO
InChIInChI=1S/C17H29N5O4Si/c1-16(2,3)27(4,5)26-13-6-12(25-17(13,8-23)9-24)11-7-21-22-14(11)19-10-20-15(22)18/h7,10,12-13,23-24H,6,8-9H2,1-5H3,(H2,18,19,20)/t12-,13+/m1/s1
InChIKeyRCVWVCOMFDCZHX-OLZOCXBDSA-N
XLogP1.28
TPSA128.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.54
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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 [(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxolan-2-yl]methanol?
The IUPAC name of [(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxolan-2-yl]methanol (CID 131743869) is [(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxolan-2-yl]methanol.
What is the SMILES notation for [(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxolan-2-yl]methanol?
The canonical SMILES for [(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxolan-2-yl]methanol is CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](c2cnn3c(N)ncnc23)OC1(CO)CO.
What is the InChIKey of [(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxolan-2-yl]methanol?
The InChIKey is RCVWVCOMFDCZHX-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H29N5O4Si/c1-16(2,3)27(4,5)26-13-6-12(25-17(13,8-23)9-24)11-7-21-22-14(11)19-10-20-15(22)18/h7,10,12-13,23-24H,6,8-9H2,1-5H3,(H2,18,19,20)/t12-,13+/m1/s1.
What are the key properties of [(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxolan-2-yl]methanol?
[(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxolan-2-yl]methanol has a molecular weight of 395.54 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxolan-2-yl]methanol is sourced from PubChem (CID 131743869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).