7-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C15H24N6O — CID 86893661

IUPAC7-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCC1CN(c2cc(C)nc3ncnn23)CCN1CCOC
InChIInChI=1S/C15H24N6O/c1-4-13-10-20(6-5-19(13)7-8-22-3)14-9-12(2)18-15-16-11-17-21(14)15/h9,11,13H,4-8,10H2,1-3H3
InChIKeyUFYJTYYYIJOGPV-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.98
Rot. Bonds5

About 7-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 86893661) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 7-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID86893661
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name7-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCC1CN(c2cc(C)nc3ncnn23)CCN1CCOC
InChIInChI=1S/C15H24N6O/c1-4-13-10-20(6-5-19(13)7-8-22-3)14-9-12(2)18-15-16-11-17-21(14)15/h9,11,13H,4-8,10H2,1-3H3
InChIKeyUFYJTYYYIJOGPV-UHFFFAOYSA-N
XLogP0.98
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 86893661) is 7-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is CCC1CN(c2cc(C)nc3ncnn23)CCN1CCOC.
What is the InChIKey of 7-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is UFYJTYYYIJOGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-4-13-10-20(6-5-19(13)7-8-22-3)14-9-12(2)18-15-16-11-17-21(14)15/h9,11,13H,4-8,10H2,1-3H3.
What are the key properties of 7-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 304.40 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 86893661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).