[(1R,2R)-2-[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]cyclopropyl]methanol

C15H16FN3O — CID 138543277

IUPAC[(1R,2R)-2-[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]cyclopropyl]methanol
SMILESOC[C@@H]1C[C@H]1c1nc2n(n1)[C@H](c1ccccc1)C[C@@H]2F
InChIInChI=1S/C15H16FN3O/c16-12-7-13(9-4-2-1-3-5-9)19-15(12)17-14(18-19)11-6-10(11)8-20/h1-5,10-13,20H,6-8H2/t10-,11+,12-,13-/m0/s1
InChIKeyAMWBTOPVUJOAKN-RNJOBUHISA-N
MW273.31 g/mol
LogP2.38
Rot. Bonds3

About [(1R,2R)-2-[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]cyclopropyl]methanol

[(1R,2R)-2-[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]cyclopropyl]methanol (PubChem CID 138543277) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is [(1R,2R)-2-[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2R)-2-[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]cyclopropyl]methanol
PubChem CID138543277
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name[(1R,2R)-2-[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]cyclopropyl]methanol
SMILESOC[C@@H]1C[C@H]1c1nc2n(n1)[C@H](c1ccccc1)C[C@@H]2F
InChIInChI=1S/C15H16FN3O/c16-12-7-13(9-4-2-1-3-5-9)19-15(12)17-14(18-19)11-6-10(11)8-20/h1-5,10-13,20H,6-8H2/t10-,11+,12-,13-/m0/s1
InChIKeyAMWBTOPVUJOAKN-RNJOBUHISA-N
XLogP2.38
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R,2R)-2-[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]cyclopropyl]methanol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]cyclopropyl]methanol?
The IUPAC name of [(1R,2R)-2-[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]cyclopropyl]methanol (CID 138543277) is [(1R,2R)-2-[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]cyclopropyl]methanol.
What is the SMILES notation for [(1R,2R)-2-[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]cyclopropyl]methanol?
The canonical SMILES for [(1R,2R)-2-[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]cyclopropyl]methanol is OC[C@@H]1C[C@H]1c1nc2n(n1)[C@H](c1ccccc1)C[C@@H]2F.
What is the InChIKey of [(1R,2R)-2-[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]cyclopropyl]methanol?
The InChIKey is AMWBTOPVUJOAKN-RNJOBUHISA-N. The full InChI is InChI=1S/C15H16FN3O/c16-12-7-13(9-4-2-1-3-5-9)19-15(12)17-14(18-19)11-6-10(11)8-20/h1-5,10-13,20H,6-8H2/t10-,11+,12-,13-/m0/s1.
What are the key properties of [(1R,2R)-2-[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]cyclopropyl]methanol?
[(1R,2R)-2-[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]cyclopropyl]methanol has a molecular weight of 273.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]cyclopropyl]methanol is sourced from PubChem (CID 138543277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).