[1-[3-[ethoxy(dihydroxy)silyl]propyl]triazol-4-yl]methanol

C8H17N3O4Si — CID 101428364

IUPAC[1-[3-[ethoxy(dihydroxy)silyl]propyl]triazol-4-yl]methanol
SMILESCCO[Si](O)(O)CCCn1cc(CO)nn1
InChIInChI=1S/C8H17N3O4Si/c1-2-15-16(13,14)5-3-4-11-6-8(7-12)9-10-11/h6,12-14H,2-5,7H2,1H3
InChIKeyQEOYSIUEGZSXSJ-UHFFFAOYSA-N
MW247.33 g/mol
LogP-0.88
Rot. Bonds7

About [1-[3-[ethoxy(dihydroxy)silyl]propyl]triazol-4-yl]methanol

[1-[3-[ethoxy(dihydroxy)silyl]propyl]triazol-4-yl]methanol (PubChem CID 101428364) has the molecular formula C8H17N3O4Si and a molecular weight of 247.33 g/mol. Its IUPAC name is [1-[3-[ethoxy(dihydroxy)silyl]propyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-[ethoxy(dihydroxy)silyl]propyl]triazol-4-yl]methanol
PubChem CID101428364
Molecular FormulaC8H17N3O4Si
Molecular Weight247.33 g/mol
Exact Mass247.10
IUPAC Name[1-[3-[ethoxy(dihydroxy)silyl]propyl]triazol-4-yl]methanol
SMILESCCO[Si](O)(O)CCCn1cc(CO)nn1
InChIInChI=1S/C8H17N3O4Si/c1-2-15-16(13,14)5-3-4-11-6-8(7-12)9-10-11/h6,12-14H,2-5,7H2,1H3
InChIKeyQEOYSIUEGZSXSJ-UHFFFAOYSA-N
XLogP-0.88
TPSA100.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethyltriazol-1-yl)propan-1-ol
CID 115012060
[1-(4-methylundecyl)triazol-4-yl]methanol
CID 174977767
[1-[3-(4-methylphenoxy)propyl]triazol-4-yl]methanol
CID 82209490
[1-[2-(dimethylamino)ethyl]triazol-4-yl]methanol
CID 62399765
[1-(2-aminoethyl)triazol-4-yl]methanol;hydrochloride
CID 86262352
[1-(3-phenylpropyl)triazol-4-yl]methanol
CID 62401838
[1-[3-(3-methylphenoxy)propyl]triazol-4-yl]methanol
CID 62401478
1-pyridin-2-yl-N-(pyridin-2-ylmethyl)-N-[[1-(3-triethoxysilylpropyl)triazol-4-yl]methyl]methanamine
CID 177493047
[1-[(2R,3S)-2-amino-3-methylpentyl]triazol-4-yl]methanol
CID 99737543
2-[2-(1-octyltriazol-4-yl)ethyl]propane-1,3-diol
CID 175884654
[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methanol
CID 103014198
[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methanol
CID 78357904

Frequently Asked Questions

What is the IUPAC name of [1-[3-[ethoxy(dihydroxy)silyl]propyl]triazol-4-yl]methanol?
The IUPAC name of [1-[3-[ethoxy(dihydroxy)silyl]propyl]triazol-4-yl]methanol (CID 101428364) is [1-[3-[ethoxy(dihydroxy)silyl]propyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[3-[ethoxy(dihydroxy)silyl]propyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[3-[ethoxy(dihydroxy)silyl]propyl]triazol-4-yl]methanol is CCO[Si](O)(O)CCCn1cc(CO)nn1.
What is the InChIKey of [1-[3-[ethoxy(dihydroxy)silyl]propyl]triazol-4-yl]methanol?
The InChIKey is QEOYSIUEGZSXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O4Si/c1-2-15-16(13,14)5-3-4-11-6-8(7-12)9-10-11/h6,12-14H,2-5,7H2,1H3.
What are the key properties of [1-[3-[ethoxy(dihydroxy)silyl]propyl]triazol-4-yl]methanol?
[1-[3-[ethoxy(dihydroxy)silyl]propyl]triazol-4-yl]methanol has a molecular weight of 247.33 g/mol, XLogP of -0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[ethoxy(dihydroxy)silyl]propyl]triazol-4-yl]methanol is sourced from PubChem (CID 101428364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).