2-[2-(5-prop-1-en-2-yltriazol-1-yl)ethoxy]ethanol

C9H15N3O2 — CID 66745174

IUPAC2-[2-(5-prop-1-en-2-yltriazol-1-yl)ethoxy]ethanol
SMILESC=C(C)c1cnnn1CCOCCO
InChIInChI=1S/C9H15N3O2/c1-8(2)9-7-10-11-12(9)3-5-14-6-4-13/h7,13H,1,3-6H2,2H3
InChIKeyZKHGBTNFXFLLBZ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.32
Rot. Bonds6

About 2-[2-(5-prop-1-en-2-yltriazol-1-yl)ethoxy]ethanol

2-[2-(5-prop-1-en-2-yltriazol-1-yl)ethoxy]ethanol (PubChem CID 66745174) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[2-(5-prop-1-en-2-yltriazol-1-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(5-prop-1-en-2-yltriazol-1-yl)ethoxy]ethanol
PubChem CID66745174
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-[2-(5-prop-1-en-2-yltriazol-1-yl)ethoxy]ethanol
SMILESC=C(C)c1cnnn1CCOCCO
InChIInChI=1S/C9H15N3O2/c1-8(2)9-7-10-11-12(9)3-5-14-6-4-13/h7,13H,1,3-6H2,2H3
InChIKeyZKHGBTNFXFLLBZ-UHFFFAOYSA-N
XLogP0.32
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-prop-1-en-2-yltriazol-1-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(5-prop-1-en-2-yltriazol-1-yl)ethoxy]ethanol (CID 66745174) is 2-[2-(5-prop-1-en-2-yltriazol-1-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(5-prop-1-en-2-yltriazol-1-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(5-prop-1-en-2-yltriazol-1-yl)ethoxy]ethanol is C=C(C)c1cnnn1CCOCCO.
What is the InChIKey of 2-[2-(5-prop-1-en-2-yltriazol-1-yl)ethoxy]ethanol?
The InChIKey is ZKHGBTNFXFLLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-8(2)9-7-10-11-12(9)3-5-14-6-4-13/h7,13H,1,3-6H2,2H3.
What are the key properties of 2-[2-(5-prop-1-en-2-yltriazol-1-yl)ethoxy]ethanol?
2-[2-(5-prop-1-en-2-yltriazol-1-yl)ethoxy]ethanol has a molecular weight of 197.24 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-prop-1-en-2-yltriazol-1-yl)ethoxy]ethanol is sourced from PubChem (CID 66745174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).