2,4-difluoro-6-piperazin-1-yl-1,3,5-triazine

C7H9F2N5 — CID 57018382

IUPAC2,4-difluoro-6-piperazin-1-yl-1,3,5-triazine
SMILESFc1nc(F)nc(N2CCNCC2)n1
InChIInChI=1S/C7H9F2N5/c8-5-11-6(9)13-7(12-5)14-3-1-10-2-4-14/h10H,1-4H2
InChIKeyLWZAAFPNZHLATQ-UHFFFAOYSA-N
MW201.18 g/mol
LogP-0.44
Rot. Bonds1

About 2,4-difluoro-6-piperazin-1-yl-1,3,5-triazine

2,4-difluoro-6-piperazin-1-yl-1,3,5-triazine (PubChem CID 57018382) has the molecular formula C7H9F2N5 and a molecular weight of 201.18 g/mol. Its IUPAC name is 2,4-difluoro-6-piperazin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-difluoro-6-piperazin-1-yl-1,3,5-triazine
PubChem CID57018382
Molecular FormulaC7H9F2N5
Molecular Weight201.18 g/mol
Exact Mass201.08
IUPAC Name2,4-difluoro-6-piperazin-1-yl-1,3,5-triazine
SMILESFc1nc(F)nc(N2CCNCC2)n1
InChIInChI=1S/C7H9F2N5/c8-5-11-6(9)13-7(12-5)14-3-1-10-2-4-14/h10H,1-4H2
InChIKeyLWZAAFPNZHLATQ-UHFFFAOYSA-N
XLogP-0.44
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,4-difluoro-6-piperazin-1-yl-1,3,5-triazine 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 2,4-difluoro-6-piperazin-1-yl-1,3,5-triazine?
The IUPAC name of 2,4-difluoro-6-piperazin-1-yl-1,3,5-triazine (CID 57018382) is 2,4-difluoro-6-piperazin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2,4-difluoro-6-piperazin-1-yl-1,3,5-triazine?
The canonical SMILES for 2,4-difluoro-6-piperazin-1-yl-1,3,5-triazine is Fc1nc(F)nc(N2CCNCC2)n1.
What is the InChIKey of 2,4-difluoro-6-piperazin-1-yl-1,3,5-triazine?
The InChIKey is LWZAAFPNZHLATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N5/c8-5-11-6(9)13-7(12-5)14-3-1-10-2-4-14/h10H,1-4H2.
What are the key properties of 2,4-difluoro-6-piperazin-1-yl-1,3,5-triazine?
2,4-difluoro-6-piperazin-1-yl-1,3,5-triazine has a molecular weight of 201.18 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-piperazin-1-yl-1,3,5-triazine is sourced from PubChem (CID 57018382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).