5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propyl-1,2,4-triazole

C11H19FN4 — CID 106640526

IUPAC5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propyl-1,2,4-triazole
SMILESCCCn1ncnc1CC(F)C1CCCN1
InChIInChI=1S/C11H19FN4/c1-2-6-16-11(14-8-15-16)7-9(12)10-4-3-5-13-10/h8-10,13H,2-7H2,1H3
InChIKeyNRKRUHAQDWNEAT-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.32
Rot. Bonds5

About 5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propyl-1,2,4-triazole

5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propyl-1,2,4-triazole (PubChem CID 106640526) has the molecular formula C11H19FN4 and a molecular weight of 226.30 g/mol. Its IUPAC name is 5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propyl-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propyl-1,2,4-triazole
PubChem CID106640526
Molecular FormulaC11H19FN4
Molecular Weight226.30 g/mol
Exact Mass226.16
IUPAC Name5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propyl-1,2,4-triazole
SMILESCCCn1ncnc1CC(F)C1CCCN1
InChIInChI=1S/C11H19FN4/c1-2-6-16-11(14-8-15-16)7-9(12)10-4-3-5-13-10/h8-10,13H,2-7H2,1H3
InChIKeyNRKRUHAQDWNEAT-UHFFFAOYSA-N
XLogP1.32
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propyl-1,2,4-triazole?
The IUPAC name of 5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propyl-1,2,4-triazole (CID 106640526) is 5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propyl-1,2,4-triazole.
What is the SMILES notation for 5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propyl-1,2,4-triazole?
The canonical SMILES for 5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propyl-1,2,4-triazole is CCCn1ncnc1CC(F)C1CCCN1.
What is the InChIKey of 5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propyl-1,2,4-triazole?
The InChIKey is NRKRUHAQDWNEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4/c1-2-6-16-11(14-8-15-16)7-9(12)10-4-3-5-13-10/h8-10,13H,2-7H2,1H3.
What are the key properties of 5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propyl-1,2,4-triazole?
5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propyl-1,2,4-triazole has a molecular weight of 226.30 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propyl-1,2,4-triazole is sourced from PubChem (CID 106640526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).