2-piperazin-1-yl-1,3,5-triazine;dihydrochloride

C7H13Cl2N5 — CID 154853260

IUPAC2-piperazin-1-yl-1,3,5-triazine;dihydrochloride
SMILESCl.Cl.c1ncnc(N2CCNCC2)n1
InChIInChI=1S/C7H11N5.2ClH/c1-3-12(4-2-8-1)7-10-5-9-6-11-7;;/h5-6,8H,1-4H2;2*1H
InChIKeyXABDCMHYYDECTH-UHFFFAOYSA-N
MW238.12 g/mol
LogP0.12
Rot. Bonds1

About 2-piperazin-1-yl-1,3,5-triazine;dihydrochloride

2-piperazin-1-yl-1,3,5-triazine;dihydrochloride (PubChem CID 154853260) has the molecular formula C7H13Cl2N5 and a molecular weight of 238.12 g/mol. Its IUPAC name is 2-piperazin-1-yl-1,3,5-triazine;dihydrochloride.

Molecular Properties

Compound Name2-piperazin-1-yl-1,3,5-triazine;dihydrochloride
PubChem CID154853260
Molecular FormulaC7H13Cl2N5
Molecular Weight238.12 g/mol
Exact Mass237.05
IUPAC Name2-piperazin-1-yl-1,3,5-triazine;dihydrochloride
SMILESCl.Cl.c1ncnc(N2CCNCC2)n1
InChIInChI=1S/C7H11N5.2ClH/c1-3-12(4-2-8-1)7-10-5-9-6-11-7;;/h5-6,8H,1-4H2;2*1H
InChIKeyXABDCMHYYDECTH-UHFFFAOYSA-N
XLogP0.12
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-piperazin-1-yl-1,3,5-triazine;dihydrochloride 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-piperazin-1-yl-1,3,5-triazine;dihydrochloride?
The IUPAC name of 2-piperazin-1-yl-1,3,5-triazine;dihydrochloride (CID 154853260) is 2-piperazin-1-yl-1,3,5-triazine;dihydrochloride.
What is the SMILES notation for 2-piperazin-1-yl-1,3,5-triazine;dihydrochloride?
The canonical SMILES for 2-piperazin-1-yl-1,3,5-triazine;dihydrochloride is Cl.Cl.c1ncnc(N2CCNCC2)n1.
What is the InChIKey of 2-piperazin-1-yl-1,3,5-triazine;dihydrochloride?
The InChIKey is XABDCMHYYDECTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5.2ClH/c1-3-12(4-2-8-1)7-10-5-9-6-11-7;;/h5-6,8H,1-4H2;2*1H.
What are the key properties of 2-piperazin-1-yl-1,3,5-triazine;dihydrochloride?
2-piperazin-1-yl-1,3,5-triazine;dihydrochloride has a molecular weight of 238.12 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-1,3,5-triazine;dihydrochloride is sourced from PubChem (CID 154853260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).