2-methyl-4-piperazin-1-yl-1,3,5-triazine

C8H13N5 — CID 15132536

IUPAC2-methyl-4-piperazin-1-yl-1,3,5-triazine
SMILESCc1ncnc(N2CCNCC2)n1
InChIInChI=1S/C8H13N5/c1-7-10-6-11-8(12-7)13-4-2-9-3-5-13/h6,9H,2-5H2,1H3
InChIKeyYFPLRBPTEGXVQQ-UHFFFAOYSA-N
MW179.23 g/mol
LogP-0.41
Rot. Bonds1

About 2-methyl-4-piperazin-1-yl-1,3,5-triazine

2-methyl-4-piperazin-1-yl-1,3,5-triazine (PubChem CID 15132536) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is 2-methyl-4-piperazin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-methyl-4-piperazin-1-yl-1,3,5-triazine
PubChem CID15132536
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name2-methyl-4-piperazin-1-yl-1,3,5-triazine
SMILESCc1ncnc(N2CCNCC2)n1
InChIInChI=1S/C8H13N5/c1-7-10-6-11-8(12-7)13-4-2-9-3-5-13/h6,9H,2-5H2,1H3
InChIKeyYFPLRBPTEGXVQQ-UHFFFAOYSA-N
XLogP-0.41
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperazin-1-yl-1,3,5-triazine?
The IUPAC name of 2-methyl-4-piperazin-1-yl-1,3,5-triazine (CID 15132536) is 2-methyl-4-piperazin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-methyl-4-piperazin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-methyl-4-piperazin-1-yl-1,3,5-triazine is Cc1ncnc(N2CCNCC2)n1.
What is the InChIKey of 2-methyl-4-piperazin-1-yl-1,3,5-triazine?
The InChIKey is YFPLRBPTEGXVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c1-7-10-6-11-8(12-7)13-4-2-9-3-5-13/h6,9H,2-5H2,1H3.
What are the key properties of 2-methyl-4-piperazin-1-yl-1,3,5-triazine?
2-methyl-4-piperazin-1-yl-1,3,5-triazine has a molecular weight of 179.23 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperazin-1-yl-1,3,5-triazine is sourced from PubChem (CID 15132536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).