2-[(3-fluoro-3-methylcyclobutyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

C11H16FN3 — CID 175611532

IUPAC2-[(3-fluoro-3-methylcyclobutyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESCC1(F)CC(Cc2nc3n(n2)CCC3)C1
InChIInChI=1S/C11H16FN3/c1-11(12)6-8(7-11)5-9-13-10-3-2-4-15(10)14-9/h8H,2-7H2,1H3
InChIKeySLFIJFFVBYQBKR-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.90
Rot. Bonds2

About 2-[(3-fluoro-3-methylcyclobutyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

2-[(3-fluoro-3-methylcyclobutyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (PubChem CID 175611532) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-[(3-fluoro-3-methylcyclobutyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name2-[(3-fluoro-3-methylcyclobutyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
PubChem CID175611532
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name2-[(3-fluoro-3-methylcyclobutyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESCC1(F)CC(Cc2nc3n(n2)CCC3)C1
InChIInChI=1S/C11H16FN3/c1-11(12)6-8(7-11)5-9-13-10-3-2-4-15(10)14-9/h8H,2-7H2,1H3
InChIKeySLFIJFFVBYQBKR-UHFFFAOYSA-N
XLogP1.90
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-3-methylcyclobutyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The IUPAC name of 2-[(3-fluoro-3-methylcyclobutyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (CID 175611532) is 2-[(3-fluoro-3-methylcyclobutyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.
What is the SMILES notation for 2-[(3-fluoro-3-methylcyclobutyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The canonical SMILES for 2-[(3-fluoro-3-methylcyclobutyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is CC1(F)CC(Cc2nc3n(n2)CCC3)C1.
What is the InChIKey of 2-[(3-fluoro-3-methylcyclobutyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The InChIKey is SLFIJFFVBYQBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3/c1-11(12)6-8(7-11)5-9-13-10-3-2-4-15(10)14-9/h8H,2-7H2,1H3.
What are the key properties of 2-[(3-fluoro-3-methylcyclobutyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
2-[(3-fluoro-3-methylcyclobutyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole has a molecular weight of 209.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-3-methylcyclobutyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 175611532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).