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

C10H12FN3O — CID 137412602

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

cyclopropyl-[(5S,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone (PubChem CID 137412602) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is cyclopropyl-[(5S,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone.

Molecular Properties

• Compound Name: cyclopropyl-[(5S,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone
• PubChem CID: 137412602
• Molecular Formula: C10H12FN3O
• Molecular Weight: 209.22 g/mol
• Exact Mass: 209.10
• IUPAC Name: cyclopropyl-[(5S,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone
• SMILES: C[C@H]1C[C@@H](F)c2nc(C(=O)C3CC3)nn21
• InChI: InChI=1S/C10H12FN3O/c1-5-4-7(11)10-12-9(13-14(5)10)8(15)6-2-3-6/h5-7H,2-4H2,1H3/t5-,7+/m0/s1
• InChIKey: MSWZNXOWODSRBF-CAHLUQPWSA-N
• XLogP: 1.85
• TPSA: 47.78 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	209.22
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(5S,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone?

The IUPAC name of cyclopropyl-[(5S,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone (CID 137412602) is cyclopropyl-[(5S,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone.

What is the SMILES notation for cyclopropyl-[(5S,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone?

The canonical SMILES for cyclopropyl-[(5S,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone is C[C@H]1C[C@@H](F)c2nc(C(=O)C3CC3)nn21.

What is the InChIKey of cyclopropyl-[(5S,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone?

The InChIKey is MSWZNXOWODSRBF-CAHLUQPWSA-N. The full InChI is InChI=1S/C10H12FN3O/c1-5-4-7(11)10-12-9(13-14(5)10)8(15)6-2-3-6/h5-7H,2-4H2,1H3/t5-,7+/m0/s1.

What are the key properties of cyclopropyl-[(5S,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone?

cyclopropyl-[(5S,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone has a molecular weight of 209.22 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropyl-[(5S,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone is sourced from PubChem (CID 137412602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).