3-piperazin-1-yl-1,4-dihydro-1,2,4-triazol-5-one

C6H11N5O — CID 136758221

IUPAC3-piperazin-1-yl-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(N2CCNCC2)[nH]1
InChIInChI=1S/C6H11N5O/c12-6-8-5(9-10-6)11-3-1-7-2-4-11/h7H,1-4H2,(H2,8,9,10,12)
InChIKeyKCVWARARGNEICO-UHFFFAOYSA-N
MW169.19 g/mol
LogP-1.49
Rot. Bonds1

About 3-piperazin-1-yl-1,4-dihydro-1,2,4-triazol-5-one

3-piperazin-1-yl-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 136758221) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 3-piperazin-1-yl-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-piperazin-1-yl-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID136758221
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name3-piperazin-1-yl-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(N2CCNCC2)[nH]1
InChIInChI=1S/C6H11N5O/c12-6-8-5(9-10-6)11-3-1-7-2-4-11/h7H,1-4H2,(H2,8,9,10,12)
InChIKeyKCVWARARGNEICO-UHFFFAOYSA-N
XLogP-1.49
TPSA76.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-piperazin-1-yl-1,4-dihydro-1,2,4-triazol-5-one (CID 136758221) is 3-piperazin-1-yl-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-piperazin-1-yl-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-piperazin-1-yl-1,4-dihydro-1,2,4-triazol-5-one is O=c1[nH]nc(N2CCNCC2)[nH]1.
What is the InChIKey of 3-piperazin-1-yl-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is KCVWARARGNEICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c12-6-8-5(9-10-6)11-3-1-7-2-4-11/h7H,1-4H2,(H2,8,9,10,12).
What are the key properties of 3-piperazin-1-yl-1,4-dihydro-1,2,4-triazol-5-one?
3-piperazin-1-yl-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 169.19 g/mol, XLogP of -1.49, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 136758221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).