(1-fluorocyclopropyl)-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone

C15H13F2N3O — CID 137408314

IUPAC(1-fluorocyclopropyl)-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone
SMILESO=C(c1nc2n(n1)C(c1ccccc1)CC2F)C1(F)CC1
InChIInChI=1S/C15H13F2N3O/c16-10-8-11(9-4-2-1-3-5-9)20-14(10)18-13(19-20)12(21)15(17)6-7-15/h1-5,10-11H,6-8H2
InChIKeyRLNRFHSARKQFGM-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.97
Rot. Bonds3

About (1-fluorocyclopropyl)-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone

(1-fluorocyclopropyl)-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone (PubChem CID 137408314) has the molecular formula C15H13F2N3O and a molecular weight of 289.29 g/mol. Its IUPAC name is (1-fluorocyclopropyl)-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone.

Molecular Properties

Compound Name(1-fluorocyclopropyl)-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone
PubChem CID137408314
Molecular FormulaC15H13F2N3O
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name(1-fluorocyclopropyl)-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone
SMILESO=C(c1nc2n(n1)C(c1ccccc1)CC2F)C1(F)CC1
InChIInChI=1S/C15H13F2N3O/c16-10-8-11(9-4-2-1-3-5-9)20-14(10)18-13(19-20)12(21)15(17)6-7-15/h1-5,10-11H,6-8H2
InChIKeyRLNRFHSARKQFGM-UHFFFAOYSA-N
XLogP2.97
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-fluorocyclopropyl)-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclopropyl)-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone?
The IUPAC name of (1-fluorocyclopropyl)-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone (CID 137408314) is (1-fluorocyclopropyl)-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone.
What is the SMILES notation for (1-fluorocyclopropyl)-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone?
The canonical SMILES for (1-fluorocyclopropyl)-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone is O=C(c1nc2n(n1)C(c1ccccc1)CC2F)C1(F)CC1.
What is the InChIKey of (1-fluorocyclopropyl)-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone?
The InChIKey is RLNRFHSARKQFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O/c16-10-8-11(9-4-2-1-3-5-9)20-14(10)18-13(19-20)12(21)15(17)6-7-15/h1-5,10-11H,6-8H2.
What are the key properties of (1-fluorocyclopropyl)-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone?
(1-fluorocyclopropyl)-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone has a molecular weight of 289.29 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclopropyl)-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone is sourced from PubChem (CID 137408314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).