1-(2H-triazol-4-yl)-5-trimethylsilylpentan-2-ol

C10H21N3OSi — CID 91419320

IUPAC1-(2H-triazol-4-yl)-5-trimethylsilylpentan-2-ol
SMILESC[Si](C)(C)CCCC(O)Cc1cn[nH]n1
InChIInChI=1S/C10H21N3OSi/c1-15(2,3)6-4-5-10(14)7-9-8-11-13-12-9/h8,10,14H,4-7H2,1-3H3,(H,11,12,13)
InChIKeyWLIAWXVFOLBRFN-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.83
Rot. Bonds6

About 1-(2H-triazol-4-yl)-5-trimethylsilylpentan-2-ol

1-(2H-triazol-4-yl)-5-trimethylsilylpentan-2-ol (PubChem CID 91419320) has the molecular formula C10H21N3OSi and a molecular weight of 227.38 g/mol. Its IUPAC name is 1-(2H-triazol-4-yl)-5-trimethylsilylpentan-2-ol.

Molecular Properties

Compound Name1-(2H-triazol-4-yl)-5-trimethylsilylpentan-2-ol
PubChem CID91419320
Molecular FormulaC10H21N3OSi
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name1-(2H-triazol-4-yl)-5-trimethylsilylpentan-2-ol
SMILESC[Si](C)(C)CCCC(O)Cc1cn[nH]n1
InChIInChI=1S/C10H21N3OSi/c1-15(2,3)6-4-5-10(14)7-9-8-11-13-12-9/h8,10,14H,4-7H2,1-3H3,(H,11,12,13)
InChIKeyWLIAWXVFOLBRFN-UHFFFAOYSA-N
XLogP1.83
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-Bis-triazolyl-2-propanol
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Triazolylpropan-2-ol
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1-(2H-triazol-4-yl)-4-trimethylsilylbutan-2-ol
CID 91226875
Triazol-yl-pentan-3-ol
CID 129699895
1-(2H-triazol-4-yl)butan-2-ol
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1-cyclopropyl-2-(2H-triazol-4-yl)ethanol
CID 21651567
4-(2H-triazol-4-yl)butan-2-ol
CID 53760536
3,3-dimethyl-1-(2H-triazol-4-yl)butan-2-ol
CID 54180298
2-(2H-triazol-4-yl)decan-3-ol
CID 67861044
CID 69079889
CID 69079889
4-methyl-1-(2H-triazol-4-yl)pentan-2-ol
CID 69282924

Frequently Asked Questions

What is the IUPAC name of 1-(2H-triazol-4-yl)-5-trimethylsilylpentan-2-ol?
The IUPAC name of 1-(2H-triazol-4-yl)-5-trimethylsilylpentan-2-ol (CID 91419320) is 1-(2H-triazol-4-yl)-5-trimethylsilylpentan-2-ol.
What is the SMILES notation for 1-(2H-triazol-4-yl)-5-trimethylsilylpentan-2-ol?
The canonical SMILES for 1-(2H-triazol-4-yl)-5-trimethylsilylpentan-2-ol is C[Si](C)(C)CCCC(O)Cc1cn[nH]n1.
What is the InChIKey of 1-(2H-triazol-4-yl)-5-trimethylsilylpentan-2-ol?
The InChIKey is WLIAWXVFOLBRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3OSi/c1-15(2,3)6-4-5-10(14)7-9-8-11-13-12-9/h8,10,14H,4-7H2,1-3H3,(H,11,12,13).
What are the key properties of 1-(2H-triazol-4-yl)-5-trimethylsilylpentan-2-ol?
1-(2H-triazol-4-yl)-5-trimethylsilylpentan-2-ol has a molecular weight of 227.38 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-triazol-4-yl)-5-trimethylsilylpentan-2-ol is sourced from PubChem (CID 91419320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).