2-(piperazin-1-ylmethyl)-1,3,5-triazine

C8H13N5 — CID 82468295

IUPAC2-(piperazin-1-ylmethyl)-1,3,5-triazine
SMILESc1ncnc(CN2CCNCC2)n1
InChIInChI=1S/C8H13N5/c1-3-13(4-2-9-1)5-8-11-6-10-7-12-8/h6-7,9H,1-5H2
InChIKeySKATXOGLMIFYAE-UHFFFAOYSA-N
MW179.23 g/mol
LogP-0.72
Rot. Bonds2

About 2-(piperazin-1-ylmethyl)-1,3,5-triazine

2-(piperazin-1-ylmethyl)-1,3,5-triazine (PubChem CID 82468295) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is 2-(piperazin-1-ylmethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(piperazin-1-ylmethyl)-1,3,5-triazine
PubChem CID82468295
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name2-(piperazin-1-ylmethyl)-1,3,5-triazine
SMILESc1ncnc(CN2CCNCC2)n1
InChIInChI=1S/C8H13N5/c1-3-13(4-2-9-1)5-8-11-6-10-7-12-8/h6-7,9H,1-5H2
InChIKeySKATXOGLMIFYAE-UHFFFAOYSA-N
XLogP-0.72
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(piperazin-1-ylmethyl)-1,3,5-triazine?
The IUPAC name of 2-(piperazin-1-ylmethyl)-1,3,5-triazine (CID 82468295) is 2-(piperazin-1-ylmethyl)-1,3,5-triazine.
What is the SMILES notation for 2-(piperazin-1-ylmethyl)-1,3,5-triazine?
The canonical SMILES for 2-(piperazin-1-ylmethyl)-1,3,5-triazine is c1ncnc(CN2CCNCC2)n1.
What is the InChIKey of 2-(piperazin-1-ylmethyl)-1,3,5-triazine?
The InChIKey is SKATXOGLMIFYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c1-3-13(4-2-9-1)5-8-11-6-10-7-12-8/h6-7,9H,1-5H2.
What are the key properties of 2-(piperazin-1-ylmethyl)-1,3,5-triazine?
2-(piperazin-1-ylmethyl)-1,3,5-triazine has a molecular weight of 179.23 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazin-1-ylmethyl)-1,3,5-triazine is sourced from PubChem (CID 82468295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).