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

C10H19N3O3 — CID 134693309

IUPAC1-[4-(2,2-diethoxyethyl)triazol-1-yl]ethanol
SMILESCCOC(Cc1cn(C(C)O)nn1)OCC
InChIInChI=1S/C10H19N3O3/c1-4-15-10(16-5-2)6-9-7-13(8(3)14)12-11-9/h7-8,10,14H,4-6H2,1-3H3
InChIKeyMMCAAKZYBNXJPF-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.73
Rot. Bonds7

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

1-[4-(2,2-diethoxyethyl)triazol-1-yl]ethanol (PubChem CID 134693309) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[4-(2,2-diethoxyethyl)triazol-1-yl]ethanol.

Molecular Properties

Compound Name1-[4-(2,2-diethoxyethyl)triazol-1-yl]ethanol
PubChem CID134693309
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name1-[4-(2,2-diethoxyethyl)triazol-1-yl]ethanol
SMILESCCOC(Cc1cn(C(C)O)nn1)OCC
InChIInChI=1S/C10H19N3O3/c1-4-15-10(16-5-2)6-9-7-13(8(3)14)12-11-9/h7-8,10,14H,4-6H2,1-3H3
InChIKeyMMCAAKZYBNXJPF-UHFFFAOYSA-N
XLogP0.73
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.73
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-[4-(2,2-diethoxyethyl)triazol-1-yl]ethanol?
The IUPAC name of 1-[4-(2,2-diethoxyethyl)triazol-1-yl]ethanol (CID 134693309) is 1-[4-(2,2-diethoxyethyl)triazol-1-yl]ethanol.
What is the SMILES notation for 1-[4-(2,2-diethoxyethyl)triazol-1-yl]ethanol?
The canonical SMILES for 1-[4-(2,2-diethoxyethyl)triazol-1-yl]ethanol is CCOC(Cc1cn(C(C)O)nn1)OCC.
What is the InChIKey of 1-[4-(2,2-diethoxyethyl)triazol-1-yl]ethanol?
The InChIKey is MMCAAKZYBNXJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-4-15-10(16-5-2)6-9-7-13(8(3)14)12-11-9/h7-8,10,14H,4-6H2,1-3H3.
What are the key properties of 1-[4-(2,2-diethoxyethyl)triazol-1-yl]ethanol?
1-[4-(2,2-diethoxyethyl)triazol-1-yl]ethanol has a molecular weight of 229.28 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-diethoxyethyl)triazol-1-yl]ethanol is sourced from PubChem (CID 134693309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).