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

C24H34N8 — CID 53202426

IUPAC7-(4-ethylpiperazin-1-yl)-5-methyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCN1CCN(c2cc(C)nc3nc(CN4CCN(c5ccccc5C)CC4)nn23)CC1
InChIInChI=1S/C24H34N8/c1-4-28-9-15-31(16-10-28)23-17-20(3)25-24-26-22(27-32(23)24)18-29-11-13-30(14-12-29)21-8-6-5-7-19(21)2/h5-8,17H,4,9-16,18H2,1-3H3
InChIKeyDDWLGZWGTOODKS-UHFFFAOYSA-N
MW434.59 g/mol
LogP2.21
Rot. Bonds5

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

7-(4-ethylpiperazin-1-yl)-5-methyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 53202426) has the molecular formula C24H34N8 and a molecular weight of 434.59 g/mol. Its IUPAC name is 7-(4-ethylpiperazin-1-yl)-5-methyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-ethylpiperazin-1-yl)-5-methyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID53202426
Molecular FormulaC24H34N8
Molecular Weight434.59 g/mol
Exact Mass434.29
IUPAC Name7-(4-ethylpiperazin-1-yl)-5-methyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCN1CCN(c2cc(C)nc3nc(CN4CCN(c5ccccc5C)CC4)nn23)CC1
InChIInChI=1S/C24H34N8/c1-4-28-9-15-31(16-10-28)23-17-20(3)25-24-26-22(27-32(23)24)18-29-11-13-30(14-12-29)21-8-6-5-7-19(21)2/h5-8,17H,4,9-16,18H2,1-3H3
InChIKeyDDWLGZWGTOODKS-UHFFFAOYSA-N
XLogP2.21
TPSA56.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

7-(4-ethylpiperazin-1-yl)-5-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53202423
7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 122174844
5-methyl-7-piperidin-1-yl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53202344
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53202333
2-[(4-butylpiperazin-1-yl)methyl]-5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53202353
4-[5-methyl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 53202358
7-(4-ethylpiperazin-1-yl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 23608442
7-(azepan-1-yl)-5-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53202439
5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53202378
2-(4-chlorophenyl)-7-(4-ethylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 23608478
ethyl 1-[[7-(4-ethylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-3-carboxylate
CID 53202420
7-(4-benzylpiperazin-1-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 4911740

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethylpiperazin-1-yl)-5-methyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-ethylpiperazin-1-yl)-5-methyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 53202426) is 7-(4-ethylpiperazin-1-yl)-5-methyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-ethylpiperazin-1-yl)-5-methyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-ethylpiperazin-1-yl)-5-methyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine is CCN1CCN(c2cc(C)nc3nc(CN4CCN(c5ccccc5C)CC4)nn23)CC1.
What is the InChIKey of 7-(4-ethylpiperazin-1-yl)-5-methyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is DDWLGZWGTOODKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N8/c1-4-28-9-15-31(16-10-28)23-17-20(3)25-24-26-22(27-32(23)24)18-29-11-13-30(14-12-29)21-8-6-5-7-19(21)2/h5-8,17H,4,9-16,18H2,1-3H3.
What are the key properties of 7-(4-ethylpiperazin-1-yl)-5-methyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-ethylpiperazin-1-yl)-5-methyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 434.59 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethylpiperazin-1-yl)-5-methyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 53202426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).