1-[2-(1-iodoethoxy)ethyl]-1,2,4-triazole

C6H10IN3O — CID 163758057

IUPAC1-[2-(1-iodoethoxy)ethyl]-1,2,4-triazole
SMILESCC(I)OCCn1cncn1
InChIInChI=1S/C6H10IN3O/c1-6(7)11-3-2-10-5-8-4-9-10/h4-6H,2-3H2,1H3
InChIKeyLVURGKIBJMJWGA-UHFFFAOYSA-N
MW267.07 g/mol
LogP1.08
Rot. Bonds4

About 1-[2-(1-iodoethoxy)ethyl]-1,2,4-triazole

1-[2-(1-iodoethoxy)ethyl]-1,2,4-triazole (PubChem CID 163758057) has the molecular formula C6H10IN3O and a molecular weight of 267.07 g/mol. Its IUPAC name is 1-[2-(1-iodoethoxy)ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[2-(1-iodoethoxy)ethyl]-1,2,4-triazole
PubChem CID163758057
Molecular FormulaC6H10IN3O
Molecular Weight267.07 g/mol
Exact Mass266.99
IUPAC Name1-[2-(1-iodoethoxy)ethyl]-1,2,4-triazole
SMILESCC(I)OCCn1cncn1
InChIInChI=1S/C6H10IN3O/c1-6(7)11-3-2-10-5-8-4-9-10/h4-6H,2-3H2,1H3
InChIKeyLVURGKIBJMJWGA-UHFFFAOYSA-N
XLogP1.08
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.07
LogP ≤ 51.08
H-Bond Donors ≤ 50
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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Related Compounds

1-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,2,4-triazole
CID 63811316
3-Iodo-1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole
CID 79784437
3-Iodo-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole
CID 79785570
1-[2-(2,2,3,3-Tetrafluoropropoxy)ethyl]-1,2,4-triazole
CID 91662263
4-(2-Ethoxyethyl)-4H-1,2,4-triazole
CID 12888394
1-(2-Methoxyethyl)-1,2,4-triazole
CID 13568503
1-Imino-2-(1,2,4-triazol-1-yl)ethyl Methyl Ether
CID 20364091
4-(1-Methyl-1,2,4-triazol-3-yl)morpholine
CID 20661091
1-(2-Ethoxyethyl)tetrazole
CID 20747441
1-(2-Methoxypropyl)-1,2,4-triazole
CID 21657440
1-[2-[(2-Methylpropan-2-yl)oxy]ethyl]-1,2,4-triazole
CID 57618587
1-[2-(Methoxymethoxy)ethyl]-1,2,4-triazole
CID 58803589

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-iodoethoxy)ethyl]-1,2,4-triazole?
The IUPAC name of 1-[2-(1-iodoethoxy)ethyl]-1,2,4-triazole (CID 163758057) is 1-[2-(1-iodoethoxy)ethyl]-1,2,4-triazole.
What is the SMILES notation for 1-[2-(1-iodoethoxy)ethyl]-1,2,4-triazole?
The canonical SMILES for 1-[2-(1-iodoethoxy)ethyl]-1,2,4-triazole is CC(I)OCCn1cncn1.
What is the InChIKey of 1-[2-(1-iodoethoxy)ethyl]-1,2,4-triazole?
The InChIKey is LVURGKIBJMJWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10IN3O/c1-6(7)11-3-2-10-5-8-4-9-10/h4-6H,2-3H2,1H3.
What are the key properties of 1-[2-(1-iodoethoxy)ethyl]-1,2,4-triazole?
1-[2-(1-iodoethoxy)ethyl]-1,2,4-triazole has a molecular weight of 267.07 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-iodoethoxy)ethyl]-1,2,4-triazole is sourced from PubChem (CID 163758057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).