4-(3,6-dichloro-1,2,4-triazin-5-yl)piperazin-2-one

C7H7Cl2N5O — CID 81036069

IUPAC4-(3,6-dichloro-1,2,4-triazin-5-yl)piperazin-2-one
SMILESO=C1CN(c2nc(Cl)nnc2Cl)CCN1
InChIInChI=1S/C7H7Cl2N5O/c8-5-6(11-7(9)13-12-5)14-2-1-10-4(15)3-14/h1-3H2,(H,10,15)
InChIKeyLUUSTOKAHADMEA-UHFFFAOYSA-N
MW248.07 g/mol
LogP0.11
Rot. Bonds1

About 4-(3,6-dichloro-1,2,4-triazin-5-yl)piperazin-2-one

4-(3,6-dichloro-1,2,4-triazin-5-yl)piperazin-2-one (PubChem CID 81036069) has the molecular formula C7H7Cl2N5O and a molecular weight of 248.07 g/mol. Its IUPAC name is 4-(3,6-dichloro-1,2,4-triazin-5-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(3,6-dichloro-1,2,4-triazin-5-yl)piperazin-2-one
PubChem CID81036069
Molecular FormulaC7H7Cl2N5O
Molecular Weight248.07 g/mol
Exact Mass247.00
IUPAC Name4-(3,6-dichloro-1,2,4-triazin-5-yl)piperazin-2-one
SMILESO=C1CN(c2nc(Cl)nnc2Cl)CCN1
InChIInChI=1S/C7H7Cl2N5O/c8-5-6(11-7(9)13-12-5)14-2-1-10-4(15)3-14/h1-3H2,(H,10,15)
InChIKeyLUUSTOKAHADMEA-UHFFFAOYSA-N
XLogP0.11
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dichloro-1,2,4-triazin-5-yl)piperazin-2-one?
The IUPAC name of 4-(3,6-dichloro-1,2,4-triazin-5-yl)piperazin-2-one (CID 81036069) is 4-(3,6-dichloro-1,2,4-triazin-5-yl)piperazin-2-one.
What is the SMILES notation for 4-(3,6-dichloro-1,2,4-triazin-5-yl)piperazin-2-one?
The canonical SMILES for 4-(3,6-dichloro-1,2,4-triazin-5-yl)piperazin-2-one is O=C1CN(c2nc(Cl)nnc2Cl)CCN1.
What is the InChIKey of 4-(3,6-dichloro-1,2,4-triazin-5-yl)piperazin-2-one?
The InChIKey is LUUSTOKAHADMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N5O/c8-5-6(11-7(9)13-12-5)14-2-1-10-4(15)3-14/h1-3H2,(H,10,15).
What are the key properties of 4-(3,6-dichloro-1,2,4-triazin-5-yl)piperazin-2-one?
4-(3,6-dichloro-1,2,4-triazin-5-yl)piperazin-2-one has a molecular weight of 248.07 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dichloro-1,2,4-triazin-5-yl)piperazin-2-one is sourced from PubChem (CID 81036069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).