7-cyclohexyl-5-iodoimidazo[5,1-f][1,2,4]triazine

C11H13IN4 — CID 86631918

IUPAC7-cyclohexyl-5-iodoimidazo[5,1-f][1,2,4]triazine
SMILESIc1nc(C2CCCCC2)n2ncncc12
InChIInChI=1S/C11H13IN4/c12-10-9-6-13-7-14-16(9)11(15-10)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyAWWKDIHTDORXKK-UHFFFAOYSA-N
MW328.16 g/mol
LogP2.78
Rot. Bonds1

About 7-cyclohexyl-5-iodoimidazo[5,1-f][1,2,4]triazine

7-cyclohexyl-5-iodoimidazo[5,1-f][1,2,4]triazine (PubChem CID 86631918) has the molecular formula C11H13IN4 and a molecular weight of 328.16 g/mol. Its IUPAC name is 7-cyclohexyl-5-iodoimidazo[5,1-f][1,2,4]triazine.

Molecular Properties

Compound Name7-cyclohexyl-5-iodoimidazo[5,1-f][1,2,4]triazine
PubChem CID86631918
Molecular FormulaC11H13IN4
Molecular Weight328.16 g/mol
Exact Mass328.02
IUPAC Name7-cyclohexyl-5-iodoimidazo[5,1-f][1,2,4]triazine
SMILESIc1nc(C2CCCCC2)n2ncncc12
InChIInChI=1S/C11H13IN4/c12-10-9-6-13-7-14-16(9)11(15-10)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyAWWKDIHTDORXKK-UHFFFAOYSA-N
XLogP2.78
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-5-iodoimidazo[5,1-f][1,2,4]triazine?
The IUPAC name of 7-cyclohexyl-5-iodoimidazo[5,1-f][1,2,4]triazine (CID 86631918) is 7-cyclohexyl-5-iodoimidazo[5,1-f][1,2,4]triazine.
What is the SMILES notation for 7-cyclohexyl-5-iodoimidazo[5,1-f][1,2,4]triazine?
The canonical SMILES for 7-cyclohexyl-5-iodoimidazo[5,1-f][1,2,4]triazine is Ic1nc(C2CCCCC2)n2ncncc12.
What is the InChIKey of 7-cyclohexyl-5-iodoimidazo[5,1-f][1,2,4]triazine?
The InChIKey is AWWKDIHTDORXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN4/c12-10-9-6-13-7-14-16(9)11(15-10)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 7-cyclohexyl-5-iodoimidazo[5,1-f][1,2,4]triazine?
7-cyclohexyl-5-iodoimidazo[5,1-f][1,2,4]triazine has a molecular weight of 328.16 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-5-iodoimidazo[5,1-f][1,2,4]triazine is sourced from PubChem (CID 86631918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).