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

C19H24N6O — CID 22432268

IUPAC2-ethyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1nc2nc(C)cc(N3CCN(c4ccccc4OC)CC3)n2n1
InChIInChI=1S/C19H24N6O/c1-4-17-21-19-20-14(2)13-18(25(19)22-17)24-11-9-23(10-12-24)15-7-5-6-8-16(15)26-3/h5-8,13H,4,9-12H2,1-3H3
InChIKeyUEBXSAXONWINBB-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.33
Rot. Bonds4

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

2-ethyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 22432268) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-ethyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-ethyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID22432268
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name2-ethyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1nc2nc(C)cc(N3CCN(c4ccccc4OC)CC3)n2n1
InChIInChI=1S/C19H24N6O/c1-4-17-21-19-20-14(2)13-18(25(19)22-17)24-11-9-23(10-12-24)15-7-5-6-8-16(15)26-3/h5-8,13H,4,9-12H2,1-3H3
InChIKeyUEBXSAXONWINBB-UHFFFAOYSA-N
XLogP2.33
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-ethyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 22432268) is 2-ethyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-ethyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-ethyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is CCc1nc2nc(C)cc(N3CCN(c4ccccc4OC)CC3)n2n1.
What is the InChIKey of 2-ethyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is UEBXSAXONWINBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-4-17-21-19-20-14(2)13-18(25(19)22-17)24-11-9-23(10-12-24)15-7-5-6-8-16(15)26-3/h5-8,13H,4,9-12H2,1-3H3.
What are the key properties of 2-ethyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-ethyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 352.44 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 22432268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).