1-(4-ethylpiperazin-1-yl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one

C19H30N8O — CID 78870337

IUPAC1-(4-ethylpiperazin-1-yl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one
SMILESCCN1CCN(C(=O)C(C)N2CCN(c3cc(C)nc4ncnn34)CC2)CC1
InChIInChI=1S/C19H30N8O/c1-4-23-5-7-26(8-6-23)18(28)16(3)24-9-11-25(12-10-24)17-13-15(2)22-19-20-14-21-27(17)19/h13-14,16H,4-12H2,1-3H3
InChIKeyLVCAZXRVQZKUEP-UHFFFAOYSA-N
MW386.50 g/mol
LogP0.11
Rot. Bonds4

About 1-(4-ethylpiperazin-1-yl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one

1-(4-ethylpiperazin-1-yl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one (PubChem CID 78870337) has the molecular formula C19H30N8O and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one
PubChem CID78870337
Molecular FormulaC19H30N8O
Molecular Weight386.50 g/mol
Exact Mass386.25
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one
SMILESCCN1CCN(C(=O)C(C)N2CCN(c3cc(C)nc4ncnn34)CC2)CC1
InChIInChI=1S/C19H30N8O/c1-4-23-5-7-26(8-6-23)18(28)16(3)24-9-11-25(12-10-24)17-13-15(2)22-19-20-14-21-27(17)19/h13-14,16H,4-12H2,1-3H3
InChIKeyLVCAZXRVQZKUEP-UHFFFAOYSA-N
XLogP0.11
TPSA73.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one (CID 78870337) is 1-(4-ethylpiperazin-1-yl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one is CCN1CCN(C(=O)C(C)N2CCN(c3cc(C)nc4ncnn34)CC2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one?
The InChIKey is LVCAZXRVQZKUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N8O/c1-4-23-5-7-26(8-6-23)18(28)16(3)24-9-11-25(12-10-24)17-13-15(2)22-19-20-14-21-27(17)19/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one?
1-(4-ethylpiperazin-1-yl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one has a molecular weight of 386.50 g/mol, XLogP of 0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 78870337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).