6-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

C17H22N8 — CID 50741270

IUPAC6-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCN1CCN(c2nccc(-c3cnc4nc(C)nn4c3C)n2)CC1
InChIInChI=1S/C17H22N8/c1-4-23-7-9-24(10-8-23)16-18-6-5-15(21-16)14-11-19-17-20-13(3)22-25(17)12(14)2/h5-6,11H,4,7-10H2,1-3H3
InChIKeySPBIISMVNMNGOQ-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.34
Rot. Bonds3

About 6-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

6-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 50741270) has the molecular formula C17H22N8 and a molecular weight of 338.42 g/mol. Its IUPAC name is 6-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID50741270
Molecular FormulaC17H22N8
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC Name6-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCN1CCN(c2nccc(-c3cnc4nc(C)nn4c3C)n2)CC1
InChIInChI=1S/C17H22N8/c1-4-23-7-9-24(10-8-23)16-18-6-5-15(21-16)14-11-19-17-20-13(3)22-25(17)12(14)2/h5-6,11H,4,7-10H2,1-3H3
InChIKeySPBIISMVNMNGOQ-UHFFFAOYSA-N
XLogP1.34
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 50741270) is 6-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is CCN1CCN(c2nccc(-c3cnc4nc(C)nn4c3C)n2)CC1.
What is the InChIKey of 6-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is SPBIISMVNMNGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8/c1-4-23-7-9-24(10-8-23)16-18-6-5-15(21-16)14-11-19-17-20-13(3)22-25(17)12(14)2/h5-6,11H,4,7-10H2,1-3H3.
What are the key properties of 6-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
6-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 338.42 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 50741270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).