cyclopropyl-[7-fluoro-5-[(2E,4Z)-3-fluorohepta-2,4-dien-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone

C16H19F2N3O — CID 142515020

IUPACcyclopropyl-[7-fluoro-5-[(2E,4Z)-3-fluorohepta-2,4-dien-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone
SMILESC/C=C(F)\C(=C/CC)C1CC(F)c2nc(C(=O)C3CC3)nn21
InChIInChI=1S/C16H19F2N3O/c1-3-5-10(11(17)4-2)13-8-12(18)16-19-15(20-21(13)16)14(22)9-6-7-9/h4-5,9,12-13H,3,6-8H2,1-2H3/b10-5+,11-4+
InChIKeyUUFRHRLCXRJJPG-HRCIMPOESA-N
MW307.34 g/mol
LogP4.04
Rot. Bonds5

About cyclopropyl-[7-fluoro-5-[(2E,4Z)-3-fluorohepta-2,4-dien-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone

cyclopropyl-[7-fluoro-5-[(2E,4Z)-3-fluorohepta-2,4-dien-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone (PubChem CID 142515020) has the molecular formula C16H19F2N3O and a molecular weight of 307.34 g/mol. Its IUPAC name is cyclopropyl-[7-fluoro-5-[(2E,4Z)-3-fluorohepta-2,4-dien-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[7-fluoro-5-[(2E,4Z)-3-fluorohepta-2,4-dien-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone
PubChem CID142515020
Molecular FormulaC16H19F2N3O
Molecular Weight307.34 g/mol
Exact Mass307.15
IUPAC Namecyclopropyl-[7-fluoro-5-[(2E,4Z)-3-fluorohepta-2,4-dien-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone
SMILESC/C=C(F)\C(=C/CC)C1CC(F)c2nc(C(=O)C3CC3)nn21
InChIInChI=1S/C16H19F2N3O/c1-3-5-10(11(17)4-2)13-8-12(18)16-19-15(20-21(13)16)14(22)9-6-7-9/h4-5,9,12-13H,3,6-8H2,1-2H3/b10-5+,11-4+
InChIKeyUUFRHRLCXRJJPG-HRCIMPOESA-N
XLogP4.04
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze cyclopropyl-[7-fluoro-5-[(2E,4Z)-3-fluorohepta-2,4-dien-4-yl]-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 cyclopropyl-[7-fluoro-5-[(2E,4Z)-3-fluorohepta-2,4-dien-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone?
The IUPAC name of cyclopropyl-[7-fluoro-5-[(2E,4Z)-3-fluorohepta-2,4-dien-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone (CID 142515020) is cyclopropyl-[7-fluoro-5-[(2E,4Z)-3-fluorohepta-2,4-dien-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone.
What is the SMILES notation for cyclopropyl-[7-fluoro-5-[(2E,4Z)-3-fluorohepta-2,4-dien-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone?
The canonical SMILES for cyclopropyl-[7-fluoro-5-[(2E,4Z)-3-fluorohepta-2,4-dien-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone is C/C=C(F)\C(=C/CC)C1CC(F)c2nc(C(=O)C3CC3)nn21.
What is the InChIKey of cyclopropyl-[7-fluoro-5-[(2E,4Z)-3-fluorohepta-2,4-dien-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone?
The InChIKey is UUFRHRLCXRJJPG-HRCIMPOESA-N. The full InChI is InChI=1S/C16H19F2N3O/c1-3-5-10(11(17)4-2)13-8-12(18)16-19-15(20-21(13)16)14(22)9-6-7-9/h4-5,9,12-13H,3,6-8H2,1-2H3/b10-5+,11-4+.
What are the key properties of cyclopropyl-[7-fluoro-5-[(2E,4Z)-3-fluorohepta-2,4-dien-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone?
cyclopropyl-[7-fluoro-5-[(2E,4Z)-3-fluorohepta-2,4-dien-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone has a molecular weight of 307.34 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[7-fluoro-5-[(2E,4Z)-3-fluorohepta-2,4-dien-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone is sourced from PubChem (CID 142515020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).