ethyl 4-[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate

C20H24N6O2 — CID 46262804

IUPACethyl 4-[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(C)nc3nc(-c4ccccc4C)nn23)CC1
InChIInChI=1S/C20H24N6O2/c1-4-28-20(27)25-11-9-24(10-12-25)17-13-15(3)21-19-22-18(23-26(17)19)16-8-6-5-7-14(16)2/h5-8,13H,4,9-12H2,1-3H3
InChIKeyIEOFJNFCGNNIHN-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.69
Rot. Bonds3

About ethyl 4-[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate

ethyl 4-[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate (PubChem CID 46262804) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is ethyl 4-[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate
PubChem CID46262804
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Nameethyl 4-[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(C)nc3nc(-c4ccccc4C)nn23)CC1
InChIInChI=1S/C20H24N6O2/c1-4-28-20(27)25-11-9-24(10-12-25)17-13-15(3)21-19-22-18(23-26(17)19)16-8-6-5-7-14(16)2/h5-8,13H,4,9-12H2,1-3H3
InChIKeyIEOFJNFCGNNIHN-UHFFFAOYSA-N
XLogP2.69
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate
CID 5309655
7-(azepan-1-yl)-5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 23608612
ethyl 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate
CID 4179581
ethyl 1-[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate
CID 20961762
1-(azepan-1-yl)-2-[5,7-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 50750167
7-(4-ethylpiperazin-1-yl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 23608442
ethyl 4-[2-[5,7-dimethyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetyl]piperazine-1-carboxylate
CID 50750328
7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 122174844
2-(4-chlorophenyl)-7-(4-ethylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 23608478
2-(4-fluorophenoxy)-1-[4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone
CID 78898954
ethyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate
CID 107876806
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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate (CID 46262804) is ethyl 4-[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2cc(C)nc3nc(-c4ccccc4C)nn23)CC1.
What is the InChIKey of ethyl 4-[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate?
The InChIKey is IEOFJNFCGNNIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-4-28-20(27)25-11-9-24(10-12-25)17-13-15(3)21-19-22-18(23-26(17)19)16-8-6-5-7-14(16)2/h5-8,13H,4,9-12H2,1-3H3.
What are the key properties of ethyl 4-[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate?
ethyl 4-[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate has a molecular weight of 380.45 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate is sourced from PubChem (CID 46262804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).