2,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

C16H19N7 — CID 3235843

IUPAC2,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(c3ccccn3)CC2)n2nc(C)nc2n1
InChIInChI=1S/C16H19N7/c1-12-11-15(23-16(18-12)19-13(2)20-23)22-9-7-21(8-10-22)14-5-3-4-6-17-14/h3-6,11H,7-10H2,1-2H3
InChIKeyMRFLIOBDRYGVGL-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.46
Rot. Bonds2

About 2,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

2,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 3235843) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is 2,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID3235843
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name2,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(c3ccccn3)CC2)n2nc(C)nc2n1
InChIInChI=1S/C16H19N7/c1-12-11-15(23-16(18-12)19-13(2)20-23)22-9-7-21(8-10-22)14-5-3-4-6-17-14/h3-6,11H,7-10H2,1-2H3
InChIKeyMRFLIOBDRYGVGL-UHFFFAOYSA-N
XLogP1.46
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 3235843) is 2,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCN(c3ccccn3)CC2)n2nc(C)nc2n1.
What is the InChIKey of 2,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is MRFLIOBDRYGVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c1-12-11-15(23-16(18-12)19-13(2)20-23)22-9-7-21(8-10-22)14-5-3-4-6-17-14/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 2,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
2,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 309.38 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3235843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).