4-ethyl-2-piperazin-1-yl-1,2,4-triazol-3-one

C8H15N5O — CID 67714360

IUPAC4-ethyl-2-piperazin-1-yl-1,2,4-triazol-3-one
SMILESCCn1cnn(N2CCNCC2)c1=O
InChIInChI=1S/C8H15N5O/c1-2-11-7-10-13(8(11)14)12-5-3-9-4-6-12/h7,9H,2-6H2,1H3
InChIKeyUZGSHTAAFIPZAQ-UHFFFAOYSA-N
MW197.24 g/mol
LogP-1.39
Rot. Bonds2

About 4-ethyl-2-piperazin-1-yl-1,2,4-triazol-3-one

4-ethyl-2-piperazin-1-yl-1,2,4-triazol-3-one (PubChem CID 67714360) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-ethyl-2-piperazin-1-yl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-piperazin-1-yl-1,2,4-triazol-3-one
PubChem CID67714360
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name4-ethyl-2-piperazin-1-yl-1,2,4-triazol-3-one
SMILESCCn1cnn(N2CCNCC2)c1=O
InChIInChI=1S/C8H15N5O/c1-2-11-7-10-13(8(11)14)12-5-3-9-4-6-12/h7,9H,2-6H2,1H3
InChIKeyUZGSHTAAFIPZAQ-UHFFFAOYSA-N
XLogP-1.39
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-piperazin-1-yl-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-piperazin-1-yl-1,2,4-triazol-3-one (CID 67714360) is 4-ethyl-2-piperazin-1-yl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-piperazin-1-yl-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-piperazin-1-yl-1,2,4-triazol-3-one is CCn1cnn(N2CCNCC2)c1=O.
What is the InChIKey of 4-ethyl-2-piperazin-1-yl-1,2,4-triazol-3-one?
The InChIKey is UZGSHTAAFIPZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-2-11-7-10-13(8(11)14)12-5-3-9-4-6-12/h7,9H,2-6H2,1H3.
What are the key properties of 4-ethyl-2-piperazin-1-yl-1,2,4-triazol-3-one?
4-ethyl-2-piperazin-1-yl-1,2,4-triazol-3-one has a molecular weight of 197.24 g/mol, XLogP of -1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-piperazin-1-yl-1,2,4-triazol-3-one is sourced from PubChem (CID 67714360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).