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

C11H21N3O3 — CID 134693319

IUPAC2-[4-(2,2-diethoxyethyl)triazol-1-yl]propan-2-ol
SMILESCCOC(Cc1cn(C(C)(C)O)nn1)OCC
InChIInChI=1S/C11H21N3O3/c1-5-16-10(17-6-2)7-9-8-14(13-12-9)11(3,4)15/h8,10,15H,5-7H2,1-4H3
InChIKeyDVUHQYNSCCVOGK-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.90
Rot. Bonds7

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

2-[4-(2,2-diethoxyethyl)triazol-1-yl]propan-2-ol (PubChem CID 134693319) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[4-(2,2-diethoxyethyl)triazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(2,2-diethoxyethyl)triazol-1-yl]propan-2-ol
PubChem CID134693319
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-[4-(2,2-diethoxyethyl)triazol-1-yl]propan-2-ol
SMILESCCOC(Cc1cn(C(C)(C)O)nn1)OCC
InChIInChI=1S/C11H21N3O3/c1-5-16-10(17-6-2)7-9-8-14(13-12-9)11(3,4)15/h8,10,15H,5-7H2,1-4H3
InChIKeyDVUHQYNSCCVOGK-UHFFFAOYSA-N
XLogP0.90
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.90
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 2-[4-(2,2-diethoxyethyl)triazol-1-yl]propan-2-ol?
The IUPAC name of 2-[4-(2,2-diethoxyethyl)triazol-1-yl]propan-2-ol (CID 134693319) is 2-[4-(2,2-diethoxyethyl)triazol-1-yl]propan-2-ol.
What is the SMILES notation for 2-[4-(2,2-diethoxyethyl)triazol-1-yl]propan-2-ol?
The canonical SMILES for 2-[4-(2,2-diethoxyethyl)triazol-1-yl]propan-2-ol is CCOC(Cc1cn(C(C)(C)O)nn1)OCC.
What is the InChIKey of 2-[4-(2,2-diethoxyethyl)triazol-1-yl]propan-2-ol?
The InChIKey is DVUHQYNSCCVOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-5-16-10(17-6-2)7-9-8-14(13-12-9)11(3,4)15/h8,10,15H,5-7H2,1-4H3.
What are the key properties of 2-[4-(2,2-diethoxyethyl)triazol-1-yl]propan-2-ol?
2-[4-(2,2-diethoxyethyl)triazol-1-yl]propan-2-ol has a molecular weight of 243.31 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-diethoxyethyl)triazol-1-yl]propan-2-ol is sourced from PubChem (CID 134693319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).