7-(4-ethylpiperazin-1-yl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C19H24N6 — CID 23608442

IUPAC7-(4-ethylpiperazin-1-yl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCN1CCN(c2cc(C)nc3nc(-c4ccc(C)cc4)nn23)CC1
InChIInChI=1S/C19H24N6/c1-4-23-9-11-24(12-10-23)17-13-15(3)20-19-21-18(22-25(17)19)16-7-5-14(2)6-8-16/h5-8,13H,4,9-12H2,1-3H3
InChIKeyWGLYQTCLKVDOLR-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.55
Rot. Bonds3

About 7-(4-ethylpiperazin-1-yl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

7-(4-ethylpiperazin-1-yl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 23608442) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 7-(4-ethylpiperazin-1-yl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-ethylpiperazin-1-yl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID23608442
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name7-(4-ethylpiperazin-1-yl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCN1CCN(c2cc(C)nc3nc(-c4ccc(C)cc4)nn23)CC1
InChIInChI=1S/C19H24N6/c1-4-23-9-11-24(12-10-23)17-13-15(3)20-19-21-18(22-25(17)19)16-7-5-14(2)6-8-16/h5-8,13H,4,9-12H2,1-3H3
InChIKeyWGLYQTCLKVDOLR-UHFFFAOYSA-N
XLogP2.55
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-ethylpiperazin-1-yl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-ethylpiperazin-1-yl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 23608442) is 7-(4-ethylpiperazin-1-yl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-ethylpiperazin-1-yl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-ethylpiperazin-1-yl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is CCN1CCN(c2cc(C)nc3nc(-c4ccc(C)cc4)nn23)CC1.
What is the InChIKey of 7-(4-ethylpiperazin-1-yl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is WGLYQTCLKVDOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-4-23-9-11-24(12-10-23)17-13-15(3)20-19-21-18(22-25(17)19)16-7-5-14(2)6-8-16/h5-8,13H,4,9-12H2,1-3H3.
What are the key properties of 7-(4-ethylpiperazin-1-yl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-ethylpiperazin-1-yl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 336.44 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethylpiperazin-1-yl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 23608442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).