1-[1-(1-iodoethyl)triazol-4-yl]ethanol

C6H10IN3O — CID 170178991

IUPAC1-[1-(1-iodoethyl)triazol-4-yl]ethanol
SMILESCC(O)c1cn(C(C)I)nn1
InChIInChI=1S/C6H10IN3O/c1-4(11)6-3-10(5(2)7)9-8-6/h3-5,11H,1-2H3
InChIKeyIQBZGIQQNLTHSA-UHFFFAOYSA-N
MW267.07 g/mol
LogP1.28
Rot. Bonds2

About 1-[1-(1-iodoethyl)triazol-4-yl]ethanol

1-[1-(1-iodoethyl)triazol-4-yl]ethanol (PubChem CID 170178991) has the molecular formula C6H10IN3O and a molecular weight of 267.07 g/mol. Its IUPAC name is 1-[1-(1-iodoethyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(1-iodoethyl)triazol-4-yl]ethanol
PubChem CID170178991
Molecular FormulaC6H10IN3O
Molecular Weight267.07 g/mol
Exact Mass266.99
IUPAC Name1-[1-(1-iodoethyl)triazol-4-yl]ethanol
SMILESCC(O)c1cn(C(C)I)nn1
InChIInChI=1S/C6H10IN3O/c1-4(11)6-3-10(5(2)7)9-8-6/h3-5,11H,1-2H3
InChIKeyIQBZGIQQNLTHSA-UHFFFAOYSA-N
XLogP1.28
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.07
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-iodoethyl)triazol-4-yl]ethanol?
The IUPAC name of 1-[1-(1-iodoethyl)triazol-4-yl]ethanol (CID 170178991) is 1-[1-(1-iodoethyl)triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(1-iodoethyl)triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(1-iodoethyl)triazol-4-yl]ethanol is CC(O)c1cn(C(C)I)nn1.
What is the InChIKey of 1-[1-(1-iodoethyl)triazol-4-yl]ethanol?
The InChIKey is IQBZGIQQNLTHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10IN3O/c1-4(11)6-3-10(5(2)7)9-8-6/h3-5,11H,1-2H3.
What are the key properties of 1-[1-(1-iodoethyl)triazol-4-yl]ethanol?
1-[1-(1-iodoethyl)triazol-4-yl]ethanol has a molecular weight of 267.07 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-iodoethyl)triazol-4-yl]ethanol is sourced from PubChem (CID 170178991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).