1-(2,5-dimethylpiperazin-1-yl)-2-(triazol-1-yl)ethanone

C10H17N5O — CID 115348406

IUPAC1-(2,5-dimethylpiperazin-1-yl)-2-(triazol-1-yl)ethanone
SMILESCC1CN(C(=O)Cn2ccnn2)C(C)CN1
InChIInChI=1S/C10H17N5O/c1-8-6-15(9(2)5-11-8)10(16)7-14-4-3-12-13-14/h3-4,8-9,11H,5-7H2,1-2H3
InChIKeyDYMUUYIADCOGKY-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.51
Rot. Bonds2

About 1-(2,5-dimethylpiperazin-1-yl)-2-(triazol-1-yl)ethanone

1-(2,5-dimethylpiperazin-1-yl)-2-(triazol-1-yl)ethanone (PubChem CID 115348406) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(2,5-dimethylpiperazin-1-yl)-2-(triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylpiperazin-1-yl)-2-(triazol-1-yl)ethanone
PubChem CID115348406
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name1-(2,5-dimethylpiperazin-1-yl)-2-(triazol-1-yl)ethanone
SMILESCC1CN(C(=O)Cn2ccnn2)C(C)CN1
InChIInChI=1S/C10H17N5O/c1-8-6-15(9(2)5-11-8)10(16)7-14-4-3-12-13-14/h3-4,8-9,11H,5-7H2,1-2H3
InChIKeyDYMUUYIADCOGKY-UHFFFAOYSA-N
XLogP-0.51
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.51
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-(triazol-1-yl)ethanone?
The IUPAC name of 1-(2,5-dimethylpiperazin-1-yl)-2-(triazol-1-yl)ethanone (CID 115348406) is 1-(2,5-dimethylpiperazin-1-yl)-2-(triazol-1-yl)ethanone.
What is the SMILES notation for 1-(2,5-dimethylpiperazin-1-yl)-2-(triazol-1-yl)ethanone?
The canonical SMILES for 1-(2,5-dimethylpiperazin-1-yl)-2-(triazol-1-yl)ethanone is CC1CN(C(=O)Cn2ccnn2)C(C)CN1.
What is the InChIKey of 1-(2,5-dimethylpiperazin-1-yl)-2-(triazol-1-yl)ethanone?
The InChIKey is DYMUUYIADCOGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-8-6-15(9(2)5-11-8)10(16)7-14-4-3-12-13-14/h3-4,8-9,11H,5-7H2,1-2H3.
What are the key properties of 1-(2,5-dimethylpiperazin-1-yl)-2-(triazol-1-yl)ethanone?
1-(2,5-dimethylpiperazin-1-yl)-2-(triazol-1-yl)ethanone has a molecular weight of 223.28 g/mol, XLogP of -0.51, 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-(triazol-1-yl)ethanone is sourced from PubChem (CID 115348406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).