1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-1,2,4-triazole

C8H13FN4 — CID 130676228

IUPAC1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-1,2,4-triazole
SMILESFCCN1CCC(n2cncn2)C1
InChIInChI=1S/C8H13FN4/c9-2-4-12-3-1-8(5-12)13-7-10-6-11-13/h6-8H,1-5H2
InChIKeyMFVKZLULXIYDTM-UHFFFAOYSA-N
MW184.22 g/mol
LogP0.49
Rot. Bonds3

About 1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-1,2,4-triazole

1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-1,2,4-triazole (PubChem CID 130676228) has the molecular formula C8H13FN4 and a molecular weight of 184.22 g/mol. Its IUPAC name is 1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-1,2,4-triazole
PubChem CID130676228
Molecular FormulaC8H13FN4
Molecular Weight184.22 g/mol
Exact Mass184.11
IUPAC Name1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-1,2,4-triazole
SMILESFCCN1CCC(n2cncn2)C1
InChIInChI=1S/C8H13FN4/c9-2-4-12-3-1-8(5-12)13-7-10-6-11-13/h6-8H,1-5H2
InChIKeyMFVKZLULXIYDTM-UHFFFAOYSA-N
XLogP0.49
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-1,2,4-triazole?
The IUPAC name of 1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-1,2,4-triazole (CID 130676228) is 1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-1,2,4-triazole.
What is the SMILES notation for 1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-1,2,4-triazole?
The canonical SMILES for 1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-1,2,4-triazole is FCCN1CCC(n2cncn2)C1.
What is the InChIKey of 1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-1,2,4-triazole?
The InChIKey is MFVKZLULXIYDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4/c9-2-4-12-3-1-8(5-12)13-7-10-6-11-13/h6-8H,1-5H2.
What are the key properties of 1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-1,2,4-triazole?
1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-1,2,4-triazole has a molecular weight of 184.22 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-1,2,4-triazole is sourced from PubChem (CID 130676228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).