5-(difluoromethyl)-5-(2-fluoro-5-nitrophenyl)-2,6-dihydro-1H-pyrazin-3-amine

C11H11F3N4O2 — CID 141299451

IUPAC5-(difluoromethyl)-5-(2-fluoro-5-nitrophenyl)-2,6-dihydro-1H-pyrazin-3-amine
SMILESNC1=NC(c2cc([N+](=O)[O-])ccc2F)(C(F)F)CNC1
InChIInChI=1S/C11H11F3N4O2/c12-8-2-1-6(18(19)20)3-7(8)11(10(13)14)5-16-4-9(15)17-11/h1-3,10,16H,4-5H2,(H2,15,17)
InChIKeyKUJAQTISFGHXMU-UHFFFAOYSA-N
MW288.23 g/mol
LogP1.15
Rot. Bonds3

About 5-(difluoromethyl)-5-(2-fluoro-5-nitrophenyl)-2,6-dihydro-1H-pyrazin-3-amine

5-(difluoromethyl)-5-(2-fluoro-5-nitrophenyl)-2,6-dihydro-1H-pyrazin-3-amine (PubChem CID 141299451) has the molecular formula C11H11F3N4O2 and a molecular weight of 288.23 g/mol. Its IUPAC name is 5-(difluoromethyl)-5-(2-fluoro-5-nitrophenyl)-2,6-dihydro-1H-pyrazin-3-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-5-(2-fluoro-5-nitrophenyl)-2,6-dihydro-1H-pyrazin-3-amine
PubChem CID141299451
Molecular FormulaC11H11F3N4O2
Molecular Weight288.23 g/mol
Exact Mass288.08
IUPAC Name5-(difluoromethyl)-5-(2-fluoro-5-nitrophenyl)-2,6-dihydro-1H-pyrazin-3-amine
SMILESNC1=NC(c2cc([N+](=O)[O-])ccc2F)(C(F)F)CNC1
InChIInChI=1S/C11H11F3N4O2/c12-8-2-1-6(18(19)20)3-7(8)11(10(13)14)5-16-4-9(15)17-11/h1-3,10,16H,4-5H2,(H2,15,17)
InChIKeyKUJAQTISFGHXMU-UHFFFAOYSA-N
XLogP1.15
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(difluoromethyl)-5-(2-fluoro-5-nitrophenyl)-2,6-dihydro-1H-pyrazin-3-amine 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 5-(difluoromethyl)-5-(2-fluoro-5-nitrophenyl)-2,6-dihydro-1H-pyrazin-3-amine?
The IUPAC name of 5-(difluoromethyl)-5-(2-fluoro-5-nitrophenyl)-2,6-dihydro-1H-pyrazin-3-amine (CID 141299451) is 5-(difluoromethyl)-5-(2-fluoro-5-nitrophenyl)-2,6-dihydro-1H-pyrazin-3-amine.
What is the SMILES notation for 5-(difluoromethyl)-5-(2-fluoro-5-nitrophenyl)-2,6-dihydro-1H-pyrazin-3-amine?
The canonical SMILES for 5-(difluoromethyl)-5-(2-fluoro-5-nitrophenyl)-2,6-dihydro-1H-pyrazin-3-amine is NC1=NC(c2cc([N+](=O)[O-])ccc2F)(C(F)F)CNC1.
What is the InChIKey of 5-(difluoromethyl)-5-(2-fluoro-5-nitrophenyl)-2,6-dihydro-1H-pyrazin-3-amine?
The InChIKey is KUJAQTISFGHXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O2/c12-8-2-1-6(18(19)20)3-7(8)11(10(13)14)5-16-4-9(15)17-11/h1-3,10,16H,4-5H2,(H2,15,17).
What are the key properties of 5-(difluoromethyl)-5-(2-fluoro-5-nitrophenyl)-2,6-dihydro-1H-pyrazin-3-amine?
5-(difluoromethyl)-5-(2-fluoro-5-nitrophenyl)-2,6-dihydro-1H-pyrazin-3-amine has a molecular weight of 288.23 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-5-(2-fluoro-5-nitrophenyl)-2,6-dihydro-1H-pyrazin-3-amine is sourced from PubChem (CID 141299451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).