2-(1-cyclopropylethenyl)-7-fluoro-5-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

C16H15F2N3 — CID 137412514

IUPAC2-(1-cyclopropylethenyl)-7-fluoro-5-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESC=C(c1nc2n(n1)C(c1ccc(F)cc1)CC2F)C1CC1
InChIInChI=1S/C16H15F2N3/c1-9(10-2-3-10)15-19-16-13(18)8-14(21(16)20-15)11-4-6-12(17)7-5-11/h4-7,10,13-14H,1-3,8H2
InChIKeyDMCVWIYTOVUHFZ-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.84
Rot. Bonds3

About 2-(1-cyclopropylethenyl)-7-fluoro-5-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

2-(1-cyclopropylethenyl)-7-fluoro-5-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (PubChem CID 137412514) has the molecular formula C16H15F2N3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-(1-cyclopropylethenyl)-7-fluoro-5-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name2-(1-cyclopropylethenyl)-7-fluoro-5-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
PubChem CID137412514
Molecular FormulaC16H15F2N3
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name2-(1-cyclopropylethenyl)-7-fluoro-5-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESC=C(c1nc2n(n1)C(c1ccc(F)cc1)CC2F)C1CC1
InChIInChI=1S/C16H15F2N3/c1-9(10-2-3-10)15-19-16-13(18)8-14(21(16)20-15)11-4-6-12(17)7-5-11/h4-7,10,13-14H,1-3,8H2
InChIKeyDMCVWIYTOVUHFZ-UHFFFAOYSA-N
XLogP3.84
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylethenyl)-7-fluoro-5-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The IUPAC name of 2-(1-cyclopropylethenyl)-7-fluoro-5-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (CID 137412514) is 2-(1-cyclopropylethenyl)-7-fluoro-5-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.
What is the SMILES notation for 2-(1-cyclopropylethenyl)-7-fluoro-5-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The canonical SMILES for 2-(1-cyclopropylethenyl)-7-fluoro-5-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is C=C(c1nc2n(n1)C(c1ccc(F)cc1)CC2F)C1CC1.
What is the InChIKey of 2-(1-cyclopropylethenyl)-7-fluoro-5-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The InChIKey is DMCVWIYTOVUHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3/c1-9(10-2-3-10)15-19-16-13(18)8-14(21(16)20-15)11-4-6-12(17)7-5-11/h4-7,10,13-14H,1-3,8H2.
What are the key properties of 2-(1-cyclopropylethenyl)-7-fluoro-5-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
2-(1-cyclopropylethenyl)-7-fluoro-5-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole has a molecular weight of 287.31 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylethenyl)-7-fluoro-5-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 137412514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).