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

C7H9ClN6O — CID 53409902

IUPAC4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazin-2-one
SMILESNc1nc(Cl)nc(N2CCNC(=O)C2)n1
InChIInChI=1S/C7H9ClN6O/c8-5-11-6(9)13-7(12-5)14-2-1-10-4(15)3-14/h1-3H2,(H,10,15)(H2,9,11,12,13)
InChIKeyXEVKEQDVMRJDQG-UHFFFAOYSA-N
MW228.64 g/mol
LogP-0.96
Rot. Bonds1

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

4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazin-2-one (PubChem CID 53409902) has the molecular formula C7H9ClN6O and a molecular weight of 228.64 g/mol. Its IUPAC name is 4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazin-2-one
PubChem CID53409902
Molecular FormulaC7H9ClN6O
Molecular Weight228.64 g/mol
Exact Mass228.05
IUPAC Name4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazin-2-one
SMILESNc1nc(Cl)nc(N2CCNC(=O)C2)n1
InChIInChI=1S/C7H9ClN6O/c8-5-11-6(9)13-7(12-5)14-2-1-10-4(15)3-14/h1-3H2,(H,10,15)(H2,9,11,12,13)
InChIKeyXEVKEQDVMRJDQG-UHFFFAOYSA-N
XLogP-0.96
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.64
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazin-2-one?
The IUPAC name of 4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazin-2-one (CID 53409902) is 4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazin-2-one.
What is the SMILES notation for 4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazin-2-one?
The canonical SMILES for 4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazin-2-one is Nc1nc(Cl)nc(N2CCNC(=O)C2)n1.
What is the InChIKey of 4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazin-2-one?
The InChIKey is XEVKEQDVMRJDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN6O/c8-5-11-6(9)13-7(12-5)14-2-1-10-4(15)3-14/h1-3H2,(H,10,15)(H2,9,11,12,13).
What are the key properties of 4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazin-2-one?
4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazin-2-one has a molecular weight of 228.64 g/mol, XLogP of -0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazin-2-one is sourced from PubChem (CID 53409902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).