3-chloro-1-(3,3-difluorocyclohexanecarboximidoyl)pyrazin-2-imine

C11H13ClF2N4 — CID 142292873

IUPAC3-chloro-1-(3,3-difluorocyclohexanecarboximidoyl)pyrazin-2-imine
SMILES[H]/N=C(\C1CCCC(F)(F)C1)n1ccnc(Cl)/c1=N\[H]
InChIInChI=1S/C11H13ClF2N4/c12-8-10(16)18(5-4-17-8)9(15)7-2-1-3-11(13,14)6-7/h4-5,7,15-16H,1-3,6H2/b15-9+,16-10+
InChIKeyNDMLSKLFUOHDQN-KAVGSWPWSA-N
MW274.70 g/mol
LogP2.67
Rot. Bonds1

About 3-chloro-1-(3,3-difluorocyclohexanecarboximidoyl)pyrazin-2-imine

3-chloro-1-(3,3-difluorocyclohexanecarboximidoyl)pyrazin-2-imine (PubChem CID 142292873) has the molecular formula C11H13ClF2N4 and a molecular weight of 274.70 g/mol. Its IUPAC name is 3-chloro-1-(3,3-difluorocyclohexanecarboximidoyl)pyrazin-2-imine.

Molecular Properties

Compound Name3-chloro-1-(3,3-difluorocyclohexanecarboximidoyl)pyrazin-2-imine
PubChem CID142292873
Molecular FormulaC11H13ClF2N4
Molecular Weight274.70 g/mol
Exact Mass274.08
IUPAC Name3-chloro-1-(3,3-difluorocyclohexanecarboximidoyl)pyrazin-2-imine
SMILES[H]/N=C(\C1CCCC(F)(F)C1)n1ccnc(Cl)/c1=N\[H]
InChIInChI=1S/C11H13ClF2N4/c12-8-10(16)18(5-4-17-8)9(15)7-2-1-3-11(13,14)6-7/h4-5,7,15-16H,1-3,6H2/b15-9+,16-10+
InChIKeyNDMLSKLFUOHDQN-KAVGSWPWSA-N
XLogP2.67
TPSA65.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-chloro-1-(3,3-difluorocyclohexanecarboximidoyl)pyrazin-2-imine 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 3-chloro-1-(3,3-difluorocyclohexanecarboximidoyl)pyrazin-2-imine?
The IUPAC name of 3-chloro-1-(3,3-difluorocyclohexanecarboximidoyl)pyrazin-2-imine (CID 142292873) is 3-chloro-1-(3,3-difluorocyclohexanecarboximidoyl)pyrazin-2-imine.
What is the SMILES notation for 3-chloro-1-(3,3-difluorocyclohexanecarboximidoyl)pyrazin-2-imine?
The canonical SMILES for 3-chloro-1-(3,3-difluorocyclohexanecarboximidoyl)pyrazin-2-imine is [H]/N=C(\C1CCCC(F)(F)C1)n1ccnc(Cl)/c1=N\[H].
What is the InChIKey of 3-chloro-1-(3,3-difluorocyclohexanecarboximidoyl)pyrazin-2-imine?
The InChIKey is NDMLSKLFUOHDQN-KAVGSWPWSA-N. The full InChI is InChI=1S/C11H13ClF2N4/c12-8-10(16)18(5-4-17-8)9(15)7-2-1-3-11(13,14)6-7/h4-5,7,15-16H,1-3,6H2/b15-9+,16-10+.
What are the key properties of 3-chloro-1-(3,3-difluorocyclohexanecarboximidoyl)pyrazin-2-imine?
3-chloro-1-(3,3-difluorocyclohexanecarboximidoyl)pyrazin-2-imine has a molecular weight of 274.70 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3,3-difluorocyclohexanecarboximidoyl)pyrazin-2-imine is sourced from PubChem (CID 142292873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).