(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-amine

C15H26N4OSi — CID 99774369

IUPAC(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-amine
SMILESC[C@@H](N)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc2ncnn2c1
InChIInChI=1S/C15H26N4OSi/c1-11(16)14(20-21(5,6)15(2,3)4)12-7-8-13-17-10-18-19(13)9-12/h7-11,14H,16H2,1-6H3/t11-,14-/m1/s1
InChIKeyJHBRAZISIANUQD-BXUZGUMPSA-N
MW306.49 g/mol
LogP3.14
Rot. Bonds4

About (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-amine

(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-amine (PubChem CID 99774369) has the molecular formula C15H26N4OSi and a molecular weight of 306.49 g/mol. Its IUPAC name is (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-amine.

Molecular Properties

Compound Name(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-amine
PubChem CID99774369
Molecular FormulaC15H26N4OSi
Molecular Weight306.49 g/mol
Exact Mass306.19
IUPAC Name(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-amine
SMILESC[C@@H](N)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc2ncnn2c1
InChIInChI=1S/C15H26N4OSi/c1-11(16)14(20-21(5,6)15(2,3)4)12-7-8-13-17-10-18-19(13)9-12/h7-11,14H,16H2,1-6H3/t11-,14-/m1/s1
InChIKeyJHBRAZISIANUQD-BXUZGUMPSA-N
XLogP3.14
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-amine?
The IUPAC name of (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-amine (CID 99774369) is (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-amine.
What is the SMILES notation for (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-amine?
The canonical SMILES for (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-amine is C[C@@H](N)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc2ncnn2c1.
What is the InChIKey of (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-amine?
The InChIKey is JHBRAZISIANUQD-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H26N4OSi/c1-11(16)14(20-21(5,6)15(2,3)4)12-7-8-13-17-10-18-19(13)9-12/h7-11,14H,16H2,1-6H3/t11-,14-/m1/s1.
What are the key properties of (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-amine?
(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-amine has a molecular weight of 306.49 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-amine is sourced from PubChem (CID 99774369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).