3-fluoro-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

C5H6FN3 — CID 163690463

IUPAC3-fluoro-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESFc1nnc2n1CCC2
InChIInChI=1S/C5H6FN3/c6-5-8-7-4-2-1-3-9(4)5/h1-3H2
InChIKeyJSNZFCLTUVOTHK-UHFFFAOYSA-N
MW127.12 g/mol
LogP0.36
Rot. Bonds

About 3-fluoro-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

3-fluoro-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 163690463) has the molecular formula C5H6FN3 and a molecular weight of 127.12 g/mol. Its IUPAC name is 3-fluoro-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-fluoro-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID163690463
Molecular FormulaC5H6FN3
Molecular Weight127.12 g/mol
Exact Mass127.05
IUPAC Name3-fluoro-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESFc1nnc2n1CCC2
InChIInChI=1S/C5H6FN3/c6-5-8-7-4-2-1-3-9(4)5/h1-3H2
InChIKeyJSNZFCLTUVOTHK-UHFFFAOYSA-N
XLogP0.36
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-fluoro-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 163690463) is 3-fluoro-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-fluoro-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-fluoro-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is Fc1nnc2n1CCC2.
What is the InChIKey of 3-fluoro-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is JSNZFCLTUVOTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3/c6-5-8-7-4-2-1-3-9(4)5/h1-3H2.
What are the key properties of 3-fluoro-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
3-fluoro-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 127.12 g/mol, XLogP of 0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 163690463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).