5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C10H14N6 — CID 16767712

IUPAC5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCNCC2)n2ncnc2n1
InChIInChI=1S/C10H14N6/c1-8-6-9(15-4-2-11-3-5-15)16-10(14-8)12-7-13-16/h6-7,11H,2-5H2,1H3
InChIKeyJCJOZXJNOUQJOT-UHFFFAOYSA-N
MW218.26 g/mol
LogP-0.16
Rot. Bonds1

About 5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 16767712) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID16767712
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCNCC2)n2ncnc2n1
InChIInChI=1S/C10H14N6/c1-8-6-9(15-4-2-11-3-5-15)16-10(14-8)12-7-13-16/h6-7,11H,2-5H2,1H3
InChIKeyJCJOZXJNOUQJOT-UHFFFAOYSA-N
XLogP-0.16
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 16767712) is 5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCNCC2)n2ncnc2n1.
What is the InChIKey of 5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is JCJOZXJNOUQJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-8-6-9(15-4-2-11-3-5-15)16-10(14-8)12-7-13-16/h6-7,11H,2-5H2,1H3.
What are the key properties of 5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 218.26 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 16767712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).