1-(2,5-dimethylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one

C11H19N5O — CID 64979552

IUPAC1-(2,5-dimethylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)n2cncn2)C(C)CN1
InChIInChI=1S/C11H19N5O/c1-8-5-15(9(2)4-13-8)11(17)10(3)16-7-12-6-14-16/h6-10,13H,4-5H2,1-3H3
InChIKeyGQWPMHHYDVJTKQ-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.05
Rot. Bonds2

About 1-(2,5-dimethylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one

1-(2,5-dimethylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 64979552) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-(2,5-dimethylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID64979552
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-(2,5-dimethylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)n2cncn2)C(C)CN1
InChIInChI=1S/C11H19N5O/c1-8-5-15(9(2)4-13-8)11(17)10(3)16-7-12-6-14-16/h6-10,13H,4-5H2,1-3H3
InChIKeyGQWPMHHYDVJTKQ-UHFFFAOYSA-N
XLogP0.05
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of 1-(2,5-dimethylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one (CID 64979552) is 1-(2,5-dimethylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(2,5-dimethylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for 1-(2,5-dimethylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one is CC1CN(C(=O)C(C)n2cncn2)C(C)CN1.
What is the InChIKey of 1-(2,5-dimethylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is GQWPMHHYDVJTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-8-5-15(9(2)4-13-8)11(17)10(3)16-7-12-6-14-16/h6-10,13H,4-5H2,1-3H3.
What are the key properties of 1-(2,5-dimethylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one?
1-(2,5-dimethylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 237.31 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 64979552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).