6-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C10H14N6 — CID 84786136

IUPAC6-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1nc2ncc(CN3CCNCC3)cn2n1
InChIInChI=1S/C10H14N6/c1-3-15(4-2-11-1)6-9-5-12-10-13-8-14-16(10)7-9/h5,7-8,11H,1-4,6H2
InChIKeyAGMFYTHTQOINHS-UHFFFAOYSA-N
MW218.26 g/mol
LogP-0.47
Rot. Bonds2

About 6-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

6-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 84786136) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID84786136
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name6-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1nc2ncc(CN3CCNCC3)cn2n1
InChIInChI=1S/C10H14N6/c1-3-15(4-2-11-1)6-9-5-12-10-13-8-14-16(10)7-9/h5,7-8,11H,1-4,6H2
InChIKeyAGMFYTHTQOINHS-UHFFFAOYSA-N
XLogP-0.47
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 84786136) is 6-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is c1nc2ncc(CN3CCNCC3)cn2n1.
What is the InChIKey of 6-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is AGMFYTHTQOINHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-3-15(4-2-11-1)6-9-5-12-10-13-8-14-16(10)7-9/h5,7-8,11H,1-4,6H2.
What are the key properties of 6-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
6-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 218.26 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 84786136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).