[1-(2,2-diethoxyethyl)triazol-4-yl]methanol

C9H17N3O3 — CID 50988017

IUPAC[1-(2,2-diethoxyethyl)triazol-4-yl]methanol
SMILESCCOC(Cn1cc(CO)nn1)OCC
InChIInChI=1S/C9H17N3O3/c1-3-14-9(15-4-2)6-12-5-8(7-13)10-11-12/h5,9,13H,3-4,6-7H2,1-2H3
InChIKeyIFYADEJPZUKXLS-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.17
Rot. Bonds7

About [1-(2,2-diethoxyethyl)triazol-4-yl]methanol

[1-(2,2-diethoxyethyl)triazol-4-yl]methanol (PubChem CID 50988017) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is [1-(2,2-diethoxyethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2,2-diethoxyethyl)triazol-4-yl]methanol
PubChem CID50988017
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name[1-(2,2-diethoxyethyl)triazol-4-yl]methanol
SMILESCCOC(Cn1cc(CO)nn1)OCC
InChIInChI=1S/C9H17N3O3/c1-3-14-9(15-4-2)6-12-5-8(7-13)10-11-12/h5,9,13H,3-4,6-7H2,1-2H3
InChIKeyIFYADEJPZUKXLS-UHFFFAOYSA-N
XLogP0.17
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2-diethoxyethyl)triazol-4-yl]methanol?
The IUPAC name of [1-(2,2-diethoxyethyl)triazol-4-yl]methanol (CID 50988017) is [1-(2,2-diethoxyethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(2,2-diethoxyethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(2,2-diethoxyethyl)triazol-4-yl]methanol is CCOC(Cn1cc(CO)nn1)OCC.
What is the InChIKey of [1-(2,2-diethoxyethyl)triazol-4-yl]methanol?
The InChIKey is IFYADEJPZUKXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-3-14-9(15-4-2)6-12-5-8(7-13)10-11-12/h5,9,13H,3-4,6-7H2,1-2H3.
What are the key properties of [1-(2,2-diethoxyethyl)triazol-4-yl]methanol?
[1-(2,2-diethoxyethyl)triazol-4-yl]methanol has a molecular weight of 215.25 g/mol, XLogP of 0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-diethoxyethyl)triazol-4-yl]methanol is sourced from PubChem (CID 50988017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).