4-(2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one

C8H15N5O — CID 67714362

IUPAC4-(2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1CCN1CCNCC1
InChIInChI=1S/C8H15N5O/c14-8-11-10-7-13(8)6-5-12-3-1-9-2-4-12/h7,9H,1-6H2,(H,11,14)
InChIKeyLIFPJZZALAEGBH-UHFFFAOYSA-N
MW197.24 g/mol
LogP-1.52
Rot. Bonds3

About 4-(2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one

4-(2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one (PubChem CID 67714362) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-(2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-(2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one
PubChem CID67714362
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name4-(2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1CCN1CCNCC1
InChIInChI=1S/C8H15N5O/c14-8-11-10-7-13(8)6-5-12-3-1-9-2-4-12/h7,9H,1-6H2,(H,11,14)
InChIKeyLIFPJZZALAEGBH-UHFFFAOYSA-N
XLogP-1.52
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-(2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one (CID 67714362) is 4-(2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-(2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-(2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one is O=c1[nH]ncn1CCN1CCNCC1.
What is the InChIKey of 4-(2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one?
The InChIKey is LIFPJZZALAEGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c14-8-11-10-7-13(8)6-5-12-3-1-9-2-4-12/h7,9H,1-6H2,(H,11,14).
What are the key properties of 4-(2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one?
4-(2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one has a molecular weight of 197.24 g/mol, XLogP of -1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperazin-1-ylethyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 67714362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).