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

C10H10ClN7O — CID 62868187

IUPAC4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazin-2-one
SMILESO=C1CN(c2nc(Cl)nc(-n3cccn3)n2)CCN1
InChIInChI=1S/C10H10ClN7O/c11-8-14-9(17-5-3-12-7(19)6-17)16-10(15-8)18-4-1-2-13-18/h1-2,4H,3,5-6H2,(H,12,19)
InChIKeyZAPCAVHPRDHWDE-UHFFFAOYSA-N
MW279.69 g/mol
LogP-0.35
Rot. Bonds2

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

4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazin-2-one (PubChem CID 62868187) has the molecular formula C10H10ClN7O and a molecular weight of 279.69 g/mol. Its IUPAC name is 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazin-2-one
PubChem CID62868187
Molecular FormulaC10H10ClN7O
Molecular Weight279.69 g/mol
Exact Mass279.06
IUPAC Name4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazin-2-one
SMILESO=C1CN(c2nc(Cl)nc(-n3cccn3)n2)CCN1
InChIInChI=1S/C10H10ClN7O/c11-8-14-9(17-5-3-12-7(19)6-17)16-10(15-8)18-4-1-2-13-18/h1-2,4H,3,5-6H2,(H,12,19)
InChIKeyZAPCAVHPRDHWDE-UHFFFAOYSA-N
XLogP-0.35
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazin-2-one?
The IUPAC name of 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazin-2-one (CID 62868187) is 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazin-2-one.
What is the SMILES notation for 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazin-2-one?
The canonical SMILES for 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazin-2-one is O=C1CN(c2nc(Cl)nc(-n3cccn3)n2)CCN1.
What is the InChIKey of 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazin-2-one?
The InChIKey is ZAPCAVHPRDHWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN7O/c11-8-14-9(17-5-3-12-7(19)6-17)16-10(15-8)18-4-1-2-13-18/h1-2,4H,3,5-6H2,(H,12,19).
What are the key properties of 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazin-2-one?
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazin-2-one has a molecular weight of 279.69 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazin-2-one is sourced from PubChem (CID 62868187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).