1-piperazin-1-yl-2-(1,2,4-triazol-1-yl)ethanone

C8H13N5O — CID 24693701

IUPAC1-piperazin-1-yl-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)N1CCNCC1
InChIInChI=1S/C8H13N5O/c14-8(5-13-7-10-6-11-13)12-3-1-9-2-4-12/h6-7,9H,1-5H2
InChIKeySDLHWNMKZVKMLJ-UHFFFAOYSA-N
MW195.23 g/mol
LogP-1.29
Rot. Bonds2

About 1-piperazin-1-yl-2-(1,2,4-triazol-1-yl)ethanone

1-piperazin-1-yl-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 24693701) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-piperazin-1-yl-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID24693701
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name1-piperazin-1-yl-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)N1CCNCC1
InChIInChI=1S/C8H13N5O/c14-8(5-13-7-10-6-11-13)12-3-1-9-2-4-12/h6-7,9H,1-5H2
InChIKeySDLHWNMKZVKMLJ-UHFFFAOYSA-N
XLogP-1.29
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-1.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-piperazin-1-yl-2-(1,2,4-triazol-1-yl)ethanone (CID 24693701) is 1-piperazin-1-yl-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-piperazin-1-yl-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-piperazin-1-yl-2-(1,2,4-triazol-1-yl)ethanone is O=C(Cn1cncn1)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is SDLHWNMKZVKMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c14-8(5-13-7-10-6-11-13)12-3-1-9-2-4-12/h6-7,9H,1-5H2.
What are the key properties of 1-piperazin-1-yl-2-(1,2,4-triazol-1-yl)ethanone?
1-piperazin-1-yl-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 195.23 g/mol, XLogP of -1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 24693701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).