(5S,7S)-2-[cyclopropyl(fluoro)methyl]-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

C15H15F2N3 — CID 138543205

IUPAC(5S,7S)-2-[cyclopropyl(fluoro)methyl]-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESFC(c1nc2n(n1)[C@H](c1ccccc1)C[C@@H]2F)C1CC1
InChIInChI=1S/C15H15F2N3/c16-11-8-12(9-4-2-1-3-5-9)20-15(11)18-14(19-20)13(17)10-6-7-10/h1-5,10-13H,6-8H2/t11-,12-,13?/m0/s1
InChIKeyALCTUKGOYARRNH-VYAYZGMFSA-N
MW275.30 g/mol
LogP3.70
Rot. Bonds3

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

(5S,7S)-2-[cyclopropyl(fluoro)methyl]-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (PubChem CID 138543205) has the molecular formula C15H15F2N3 and a molecular weight of 275.30 g/mol. Its IUPAC name is (5S,7S)-2-[cyclopropyl(fluoro)methyl]-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name(5S,7S)-2-[cyclopropyl(fluoro)methyl]-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
PubChem CID138543205
Molecular FormulaC15H15F2N3
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name(5S,7S)-2-[cyclopropyl(fluoro)methyl]-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESFC(c1nc2n(n1)[C@H](c1ccccc1)C[C@@H]2F)C1CC1
InChIInChI=1S/C15H15F2N3/c16-11-8-12(9-4-2-1-3-5-9)20-15(11)18-14(19-20)13(17)10-6-7-10/h1-5,10-13H,6-8H2/t11-,12-,13?/m0/s1
InChIKeyALCTUKGOYARRNH-VYAYZGMFSA-N
XLogP3.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,7S)-2-[cyclopropyl(fluoro)methyl]-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The IUPAC name of (5S,7S)-2-[cyclopropyl(fluoro)methyl]-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (CID 138543205) is (5S,7S)-2-[cyclopropyl(fluoro)methyl]-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.
What is the SMILES notation for (5S,7S)-2-[cyclopropyl(fluoro)methyl]-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The canonical SMILES for (5S,7S)-2-[cyclopropyl(fluoro)methyl]-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is FC(c1nc2n(n1)[C@H](c1ccccc1)C[C@@H]2F)C1CC1.
What is the InChIKey of (5S,7S)-2-[cyclopropyl(fluoro)methyl]-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The InChIKey is ALCTUKGOYARRNH-VYAYZGMFSA-N. The full InChI is InChI=1S/C15H15F2N3/c16-11-8-12(9-4-2-1-3-5-9)20-15(11)18-14(19-20)13(17)10-6-7-10/h1-5,10-13H,6-8H2/t11-,12-,13?/m0/s1.
What are the key properties of (5S,7S)-2-[cyclopropyl(fluoro)methyl]-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
(5S,7S)-2-[cyclopropyl(fluoro)methyl]-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole has a molecular weight of 275.30 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-2-[cyclopropyl(fluoro)methyl]-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 138543205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).