6-ethyl-2-(furan-2-yl)-5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

C22H24N6O — CID 50800220

IUPAC6-ethyl-2-(furan-2-yl)-5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1c(C)nc2nc(-c3ccco3)nn2c1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H24N6O/c1-3-18-16(2)23-22-24-20(19-10-7-15-29-19)25-28(22)21(18)27-13-11-26(12-14-27)17-8-5-4-6-9-17/h4-10,15H,3,11-14H2,1-2H3
InChIKeyOJSPNUPXEGQAHN-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.58
Rot. Bonds4

About 6-ethyl-2-(furan-2-yl)-5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

6-ethyl-2-(furan-2-yl)-5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 50800220) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 6-ethyl-2-(furan-2-yl)-5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-ethyl-2-(furan-2-yl)-5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID50800220
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name6-ethyl-2-(furan-2-yl)-5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1c(C)nc2nc(-c3ccco3)nn2c1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H24N6O/c1-3-18-16(2)23-22-24-20(19-10-7-15-29-19)25-28(22)21(18)27-13-11-26(12-14-27)17-8-5-4-6-9-17/h4-10,15H,3,11-14H2,1-2H3
InChIKeyOJSPNUPXEGQAHN-UHFFFAOYSA-N
XLogP3.58
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(furan-2-yl)-5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-ethyl-2-(furan-2-yl)-5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 50800220) is 6-ethyl-2-(furan-2-yl)-5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-ethyl-2-(furan-2-yl)-5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-ethyl-2-(furan-2-yl)-5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is CCc1c(C)nc2nc(-c3ccco3)nn2c1N1CCN(c2ccccc2)CC1.
What is the InChIKey of 6-ethyl-2-(furan-2-yl)-5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is OJSPNUPXEGQAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-3-18-16(2)23-22-24-20(19-10-7-15-29-19)25-28(22)21(18)27-13-11-26(12-14-27)17-8-5-4-6-9-17/h4-10,15H,3,11-14H2,1-2H3.
What are the key properties of 6-ethyl-2-(furan-2-yl)-5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
6-ethyl-2-(furan-2-yl)-5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 388.48 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(furan-2-yl)-5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 50800220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).