5-ethyl-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

C8H12FN3 — CID 137412571

IUPAC5-ethyl-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESCCC1CC(F)c2nc(C)nn21
InChIInChI=1S/C8H12FN3/c1-3-6-4-7(9)8-10-5(2)11-12(6)8/h6-7H,3-4H2,1-2H3
InChIKeyBYBXQVVCGIZZGR-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.95
Rot. Bonds1

About 5-ethyl-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

5-ethyl-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (PubChem CID 137412571) has the molecular formula C8H12FN3 and a molecular weight of 169.20 g/mol. Its IUPAC name is 5-ethyl-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name5-ethyl-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
PubChem CID137412571
Molecular FormulaC8H12FN3
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC Name5-ethyl-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESCCC1CC(F)c2nc(C)nn21
InChIInChI=1S/C8H12FN3/c1-3-6-4-7(9)8-10-5(2)11-12(6)8/h6-7H,3-4H2,1-2H3
InChIKeyBYBXQVVCGIZZGR-UHFFFAOYSA-N
XLogP1.95
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The IUPAC name of 5-ethyl-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (CID 137412571) is 5-ethyl-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.
What is the SMILES notation for 5-ethyl-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The canonical SMILES for 5-ethyl-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is CCC1CC(F)c2nc(C)nn21.
What is the InChIKey of 5-ethyl-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The InChIKey is BYBXQVVCGIZZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3/c1-3-6-4-7(9)8-10-5(2)11-12(6)8/h6-7H,3-4H2,1-2H3.
What are the key properties of 5-ethyl-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
5-ethyl-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole has a molecular weight of 169.20 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 137412571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).