piperazine;1H-triazin-6-one

C7H13N5O — CID 175460234

IUPACpiperazine;1H-triazin-6-one
SMILESC1CNCCN1.O=c1ccnn[nH]1
InChIInChI=1S/C4H10N2.C3H3N3O/c1-2-6-4-3-5-1;7-3-1-2-4-6-5-3/h5-6H,1-4H2;1-2H,(H,4,5,7)
InChIKeyJMJWHYXFUBWJOP-UHFFFAOYSA-N
MW183.22 g/mol
LogP-1.66
Rot. Bonds

About piperazine;1H-triazin-6-one

piperazine;1H-triazin-6-one (PubChem CID 175460234) has the molecular formula C7H13N5O and a molecular weight of 183.22 g/mol. Its IUPAC name is piperazine;1H-triazin-6-one.

Molecular Properties

Compound Namepiperazine;1H-triazin-6-one
PubChem CID175460234
Molecular FormulaC7H13N5O
Molecular Weight183.22 g/mol
Exact Mass183.11
IUPAC Namepiperazine;1H-triazin-6-one
SMILESC1CNCCN1.O=c1ccnn[nH]1
InChIInChI=1S/C4H10N2.C3H3N3O/c1-2-6-4-3-5-1;7-3-1-2-4-6-5-3/h5-6H,1-4H2;1-2H,(H,4,5,7)
InChIKeyJMJWHYXFUBWJOP-UHFFFAOYSA-N
XLogP-1.66
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze piperazine;1H-triazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-piperazin-1-ylprop-2-enamide
CID 54213094

Frequently Asked Questions

What is the IUPAC name of piperazine;1H-triazin-6-one?
The IUPAC name of piperazine;1H-triazin-6-one (CID 175460234) is piperazine;1H-triazin-6-one.
What is the SMILES notation for piperazine;1H-triazin-6-one?
The canonical SMILES for piperazine;1H-triazin-6-one is C1CNCCN1.O=c1ccnn[nH]1.
What is the InChIKey of piperazine;1H-triazin-6-one?
The InChIKey is JMJWHYXFUBWJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C3H3N3O/c1-2-6-4-3-5-1;7-3-1-2-4-6-5-3/h5-6H,1-4H2;1-2H,(H,4,5,7).
What are the key properties of piperazine;1H-triazin-6-one?
piperazine;1H-triazin-6-one has a molecular weight of 183.22 g/mol, XLogP of -1.66, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine;1H-triazin-6-one is sourced from PubChem (CID 175460234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).