triethyl-[2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethyl]azanium iodide

C14H23IN4O — CID 3070177

IUPACtriethyl-[2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethyl]azanium iodide
SMILESCC[N+](CC)(CC)CCOc1nc2ncccc2[nH]1.[I-]
InChIInChI=1S/C14H23N4O.HI/c1-4-18(5-2,6-3)10-11-19-14-16-12-8-7-9-15-13(12)17-14;/h7-9H,4-6,10-11H2,1-3H3,(H,15,16,17);1H/q+1;/p-1
InChIKeyTZUDHABGPBSKPC-UHFFFAOYSA-M
MW390.27 g/mol
LogP-0.78
Rot. Bonds7

About triethyl-[2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethyl]azanium iodide

triethyl-[2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethyl]azanium iodide (PubChem CID 3070177) has the molecular formula C14H23IN4O and a molecular weight of 390.27 g/mol. Its IUPAC name is triethyl-[2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethyl]azanium iodide.

Molecular Properties

Compound Nametriethyl-[2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethyl]azanium iodide
PubChem CID3070177
Molecular FormulaC14H23IN4O
Molecular Weight390.27 g/mol
Exact Mass390.09
IUPAC Nametriethyl-[2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethyl]azanium iodide
SMILESCC[N+](CC)(CC)CCOc1nc2ncccc2[nH]1.[I-]
InChIInChI=1S/C14H23N4O.HI/c1-4-18(5-2,6-3)10-11-19-14-16-12-8-7-9-15-13(12)17-14;/h7-9H,4-6,10-11H2,1-3H3,(H,15,16,17);1H/q+1;/p-1
InChIKeyTZUDHABGPBSKPC-UHFFFAOYSA-M
XLogP-0.78
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethyl]azanium iodide?
The IUPAC name of triethyl-[2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethyl]azanium iodide (CID 3070177) is triethyl-[2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethyl]azanium iodide.
What is the SMILES notation for triethyl-[2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethyl]azanium iodide?
The canonical SMILES for triethyl-[2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethyl]azanium iodide is CC[N+](CC)(CC)CCOc1nc2ncccc2[nH]1.[I-].
What is the InChIKey of triethyl-[2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethyl]azanium iodide?
The InChIKey is TZUDHABGPBSKPC-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H23N4O.HI/c1-4-18(5-2,6-3)10-11-19-14-16-12-8-7-9-15-13(12)17-14;/h7-9H,4-6,10-11H2,1-3H3,(H,15,16,17);1H/q+1;/p-1.
What are the key properties of triethyl-[2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethyl]azanium iodide?
triethyl-[2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethyl]azanium iodide has a molecular weight of 390.27 g/mol, XLogP of -0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethyl]azanium iodide is sourced from PubChem (CID 3070177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).