3,6-di(piperazin-1-yl)-1,2,4-triazine

C11H19N7 — CID 129162608

IUPAC3,6-di(piperazin-1-yl)-1,2,4-triazine
SMILESc1nc(N2CCNCC2)nnc1N1CCNCC1
InChIInChI=1S/C11H19N7/c1-5-17(6-2-12-1)10-9-14-11(16-15-10)18-7-3-13-4-8-18/h9,12-13H,1-8H2
InChIKeyGNBIJQHZRSYOLK-UHFFFAOYSA-N
MW249.32 g/mol
LogP-1.31
Rot. Bonds2

About 3,6-di(piperazin-1-yl)-1,2,4-triazine

3,6-di(piperazin-1-yl)-1,2,4-triazine (PubChem CID 129162608) has the molecular formula C11H19N7 and a molecular weight of 249.32 g/mol. Its IUPAC name is 3,6-di(piperazin-1-yl)-1,2,4-triazine.

Molecular Properties

Compound Name3,6-di(piperazin-1-yl)-1,2,4-triazine
PubChem CID129162608
Molecular FormulaC11H19N7
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC Name3,6-di(piperazin-1-yl)-1,2,4-triazine
SMILESc1nc(N2CCNCC2)nnc1N1CCNCC1
InChIInChI=1S/C11H19N7/c1-5-17(6-2-12-1)10-9-14-11(16-15-10)18-7-3-13-4-8-18/h9,12-13H,1-8H2
InChIKeyGNBIJQHZRSYOLK-UHFFFAOYSA-N
XLogP-1.31
TPSA69.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,6-di(piperazin-1-yl)-1,2,4-triazine?
The IUPAC name of 3,6-di(piperazin-1-yl)-1,2,4-triazine (CID 129162608) is 3,6-di(piperazin-1-yl)-1,2,4-triazine.
What is the SMILES notation for 3,6-di(piperazin-1-yl)-1,2,4-triazine?
The canonical SMILES for 3,6-di(piperazin-1-yl)-1,2,4-triazine is c1nc(N2CCNCC2)nnc1N1CCNCC1.
What is the InChIKey of 3,6-di(piperazin-1-yl)-1,2,4-triazine?
The InChIKey is GNBIJQHZRSYOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7/c1-5-17(6-2-12-1)10-9-14-11(16-15-10)18-7-3-13-4-8-18/h9,12-13H,1-8H2.
What are the key properties of 3,6-di(piperazin-1-yl)-1,2,4-triazine?
3,6-di(piperazin-1-yl)-1,2,4-triazine has a molecular weight of 249.32 g/mol, XLogP of -1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(piperazin-1-yl)-1,2,4-triazine is sourced from PubChem (CID 129162608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).