(6-aminobenzotriazol-1-yl) 2-trimethylsilylethyl carbonate

C12H18N4O3Si — CID 140845960

IUPAC(6-aminobenzotriazol-1-yl) 2-trimethylsilylethyl carbonate
SMILESC[Si](C)(C)CCOC(=O)On1nnc2ccc(N)cc21
InChIInChI=1S/C12H18N4O3Si/c1-20(2,3)7-6-18-12(17)19-16-11-8-9(13)4-5-10(11)14-15-16/h4-5,8H,6-7,13H2,1-3H3
InChIKeyMKWYLEZBGYRZNV-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.92
Rot. Bonds4

About (6-aminobenzotriazol-1-yl) 2-trimethylsilylethyl carbonate

(6-aminobenzotriazol-1-yl) 2-trimethylsilylethyl carbonate (PubChem CID 140845960) has the molecular formula C12H18N4O3Si and a molecular weight of 294.39 g/mol. Its IUPAC name is (6-aminobenzotriazol-1-yl) 2-trimethylsilylethyl carbonate.

Molecular Properties

Compound Name(6-aminobenzotriazol-1-yl) 2-trimethylsilylethyl carbonate
PubChem CID140845960
Molecular FormulaC12H18N4O3Si
Molecular Weight294.39 g/mol
Exact Mass294.11
IUPAC Name(6-aminobenzotriazol-1-yl) 2-trimethylsilylethyl carbonate
SMILESC[Si](C)(C)CCOC(=O)On1nnc2ccc(N)cc21
InChIInChI=1S/C12H18N4O3Si/c1-20(2,3)7-6-18-12(17)19-16-11-8-9(13)4-5-10(11)14-15-16/h4-5,8H,6-7,13H2,1-3H3
InChIKeyMKWYLEZBGYRZNV-UHFFFAOYSA-N
XLogP1.92
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

benzotriazol-1-yl 3-methylbutyl carbonate
CID 91380083
2-(6-aminobenzotriazol-1-yl)acetic acid
CID 83681383
2-(6-aminobenzotriazol-1-yl)propanoic acid
CID 83681384
(6-acetylbenzotriazol-1-yl) acetate
CID 163253739
benzotriazol-1-yl 2-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl carbonate
CID 89412055
benzotriazol-1-yl benzotriazol-1-yloxycarbonyl carbonate
CID 10290998
benzotriazol-1-yl 2-acetamidoacetate
CID 11322253
[3-oxo-3-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropyl] 2-methylprop-2-enoate
CID 139621374
benzotriazol-1-yl 2-[4-[4-(benzotriazol-1-yloxycarbonyloxy)butan-2-yloxy]-2-methylbutan-2-yl]oxyethyl carbonate
CID 88889097
(2,6-dimethyl-3H-benzotriazol-1-yl) 2-trimethylsilylethyl carbonate
CID 163520574
benzotriazol-1-yl sulfanyl carbonate
CID 135280821
3-(isocyanomethyl)benzotriazol-5-amine
CID 140845946

Frequently Asked Questions

What is the IUPAC name of (6-aminobenzotriazol-1-yl) 2-trimethylsilylethyl carbonate?
The IUPAC name of (6-aminobenzotriazol-1-yl) 2-trimethylsilylethyl carbonate (CID 140845960) is (6-aminobenzotriazol-1-yl) 2-trimethylsilylethyl carbonate.
What is the SMILES notation for (6-aminobenzotriazol-1-yl) 2-trimethylsilylethyl carbonate?
The canonical SMILES for (6-aminobenzotriazol-1-yl) 2-trimethylsilylethyl carbonate is C[Si](C)(C)CCOC(=O)On1nnc2ccc(N)cc21.
What is the InChIKey of (6-aminobenzotriazol-1-yl) 2-trimethylsilylethyl carbonate?
The InChIKey is MKWYLEZBGYRZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3Si/c1-20(2,3)7-6-18-12(17)19-16-11-8-9(13)4-5-10(11)14-15-16/h4-5,8H,6-7,13H2,1-3H3.
What are the key properties of (6-aminobenzotriazol-1-yl) 2-trimethylsilylethyl carbonate?
(6-aminobenzotriazol-1-yl) 2-trimethylsilylethyl carbonate has a molecular weight of 294.39 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-aminobenzotriazol-1-yl) 2-trimethylsilylethyl carbonate is sourced from PubChem (CID 140845960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).