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

C10H17FN4 — CID 106640314

IUPAC1-ethyl-5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1,2,4-triazole
SMILESCCn1ncnc1CC(F)C1CCCN1
InChIInChI=1S/C10H17FN4/c1-2-15-10(13-7-14-15)6-8(11)9-4-3-5-12-9/h7-9,12H,2-6H2,1H3
InChIKeyCDCKOLKGFKBORM-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.93
Rot. Bonds4

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

1-ethyl-5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1,2,4-triazole (PubChem CID 106640314) has the molecular formula C10H17FN4 and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-ethyl-5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-ethyl-5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1,2,4-triazole
PubChem CID106640314
Molecular FormulaC10H17FN4
Molecular Weight212.27 g/mol
Exact Mass212.14
IUPAC Name1-ethyl-5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1,2,4-triazole
SMILESCCn1ncnc1CC(F)C1CCCN1
InChIInChI=1S/C10H17FN4/c1-2-15-10(13-7-14-15)6-8(11)9-4-3-5-12-9/h7-9,12H,2-6H2,1H3
InChIKeyCDCKOLKGFKBORM-UHFFFAOYSA-N
XLogP0.93
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1,2,4-triazole?
The IUPAC name of 1-ethyl-5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1,2,4-triazole (CID 106640314) is 1-ethyl-5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1,2,4-triazole.
What is the SMILES notation for 1-ethyl-5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1,2,4-triazole?
The canonical SMILES for 1-ethyl-5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1,2,4-triazole is CCn1ncnc1CC(F)C1CCCN1.
What is the InChIKey of 1-ethyl-5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1,2,4-triazole?
The InChIKey is CDCKOLKGFKBORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4/c1-2-15-10(13-7-14-15)6-8(11)9-4-3-5-12-9/h7-9,12H,2-6H2,1H3.
What are the key properties of 1-ethyl-5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1,2,4-triazole?
1-ethyl-5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1,2,4-triazole has a molecular weight of 212.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1,2,4-triazole is sourced from PubChem (CID 106640314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).