3-(2-cyclopropylethyl)-8-iodo-[1,2,4]triazolo[4,3-a]pyridine

C11H12IN3 — CID 58154293

IUPAC3-(2-cyclopropylethyl)-8-iodo-[1,2,4]triazolo[4,3-a]pyridine
SMILESIc1cccn2c(CCC3CC3)nnc12
InChIInChI=1S/C11H12IN3/c12-9-2-1-7-15-10(13-14-11(9)15)6-5-8-3-4-8/h1-2,7-8H,3-6H2
InChIKeyOYWKBPCOPFTFCN-UHFFFAOYSA-N
MW313.14 g/mol
LogP2.68
Rot. Bonds3

About 3-(2-cyclopropylethyl)-8-iodo-[1,2,4]triazolo[4,3-a]pyridine

3-(2-cyclopropylethyl)-8-iodo-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 58154293) has the molecular formula C11H12IN3 and a molecular weight of 313.14 g/mol. Its IUPAC name is 3-(2-cyclopropylethyl)-8-iodo-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(2-cyclopropylethyl)-8-iodo-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID58154293
Molecular FormulaC11H12IN3
Molecular Weight313.14 g/mol
Exact Mass313.01
IUPAC Name3-(2-cyclopropylethyl)-8-iodo-[1,2,4]triazolo[4,3-a]pyridine
SMILESIc1cccn2c(CCC3CC3)nnc12
InChIInChI=1S/C11H12IN3/c12-9-2-1-7-15-10(13-14-11(9)15)6-5-8-3-4-8/h1-2,7-8H,3-6H2
InChIKeyOYWKBPCOPFTFCN-UHFFFAOYSA-N
XLogP2.68
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylethyl)-8-iodo-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(2-cyclopropylethyl)-8-iodo-[1,2,4]triazolo[4,3-a]pyridine (CID 58154293) is 3-(2-cyclopropylethyl)-8-iodo-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(2-cyclopropylethyl)-8-iodo-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(2-cyclopropylethyl)-8-iodo-[1,2,4]triazolo[4,3-a]pyridine is Ic1cccn2c(CCC3CC3)nnc12.
What is the InChIKey of 3-(2-cyclopropylethyl)-8-iodo-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is OYWKBPCOPFTFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN3/c12-9-2-1-7-15-10(13-14-11(9)15)6-5-8-3-4-8/h1-2,7-8H,3-6H2.
What are the key properties of 3-(2-cyclopropylethyl)-8-iodo-[1,2,4]triazolo[4,3-a]pyridine?
3-(2-cyclopropylethyl)-8-iodo-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 313.14 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylethyl)-8-iodo-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 58154293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).