2-[(3-chloropyrazin-2-yl)amino]-1-(4-oxa-1-azabicyclo[3.1.0]hexan-5-yl)ethanone

C10H11ClN4O2 — CID 174720719

IUPAC2-[(3-chloropyrazin-2-yl)amino]-1-(4-oxa-1-azabicyclo[3.1.0]hexan-5-yl)ethanone
SMILESO=C(CNc1nccnc1Cl)C12CN1CCO2
InChIInChI=1S/C10H11ClN4O2/c11-8-9(13-2-1-12-8)14-5-7(16)10-6-15(10)3-4-17-10/h1-2H,3-6H2,(H,13,14)
InChIKeyGYCNYCVTQPDDSX-UHFFFAOYSA-N
MW254.68 g/mol
LogP0.15
Rot. Bonds4

About 2-[(3-chloropyrazin-2-yl)amino]-1-(4-oxa-1-azabicyclo[3.1.0]hexan-5-yl)ethanone

2-[(3-chloropyrazin-2-yl)amino]-1-(4-oxa-1-azabicyclo[3.1.0]hexan-5-yl)ethanone (PubChem CID 174720719) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is 2-[(3-chloropyrazin-2-yl)amino]-1-(4-oxa-1-azabicyclo[3.1.0]hexan-5-yl)ethanone.

Molecular Properties

Compound Name2-[(3-chloropyrazin-2-yl)amino]-1-(4-oxa-1-azabicyclo[3.1.0]hexan-5-yl)ethanone
PubChem CID174720719
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Name2-[(3-chloropyrazin-2-yl)amino]-1-(4-oxa-1-azabicyclo[3.1.0]hexan-5-yl)ethanone
SMILESO=C(CNc1nccnc1Cl)C12CN1CCO2
InChIInChI=1S/C10H11ClN4O2/c11-8-9(13-2-1-12-8)14-5-7(16)10-6-15(10)3-4-17-10/h1-2H,3-6H2,(H,13,14)
InChIKeyGYCNYCVTQPDDSX-UHFFFAOYSA-N
XLogP0.15
TPSA67.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[(3-chloropyrazin-2-yl)amino]-1-(4-oxa-1-azabicyclo[3.1.0]hexan-5-yl)ethanone 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 2-[(3-chloropyrazin-2-yl)amino]-1-(4-oxa-1-azabicyclo[3.1.0]hexan-5-yl)ethanone?
The IUPAC name of 2-[(3-chloropyrazin-2-yl)amino]-1-(4-oxa-1-azabicyclo[3.1.0]hexan-5-yl)ethanone (CID 174720719) is 2-[(3-chloropyrazin-2-yl)amino]-1-(4-oxa-1-azabicyclo[3.1.0]hexan-5-yl)ethanone.
What is the SMILES notation for 2-[(3-chloropyrazin-2-yl)amino]-1-(4-oxa-1-azabicyclo[3.1.0]hexan-5-yl)ethanone?
The canonical SMILES for 2-[(3-chloropyrazin-2-yl)amino]-1-(4-oxa-1-azabicyclo[3.1.0]hexan-5-yl)ethanone is O=C(CNc1nccnc1Cl)C12CN1CCO2.
What is the InChIKey of 2-[(3-chloropyrazin-2-yl)amino]-1-(4-oxa-1-azabicyclo[3.1.0]hexan-5-yl)ethanone?
The InChIKey is GYCNYCVTQPDDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c11-8-9(13-2-1-12-8)14-5-7(16)10-6-15(10)3-4-17-10/h1-2H,3-6H2,(H,13,14).
What are the key properties of 2-[(3-chloropyrazin-2-yl)amino]-1-(4-oxa-1-azabicyclo[3.1.0]hexan-5-yl)ethanone?
2-[(3-chloropyrazin-2-yl)amino]-1-(4-oxa-1-azabicyclo[3.1.0]hexan-5-yl)ethanone has a molecular weight of 254.68 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloropyrazin-2-yl)amino]-1-(4-oxa-1-azabicyclo[3.1.0]hexan-5-yl)ethanone is sourced from PubChem (CID 174720719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).