4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazine-2,6-dione

C7H7ClN6O2 — CID 80855882

IUPAC4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazine-2,6-dione
SMILESNc1nc(Cl)nc(N2CC(=O)NC(=O)C2)n1
InChIInChI=1S/C7H7ClN6O2/c8-5-11-6(9)13-7(12-5)14-1-3(15)10-4(16)2-14/h1-2H2,(H,10,15,16)(H2,9,11,12,13)
InChIKeyRLFIXXNZKUKSKB-UHFFFAOYSA-N
MW242.63 g/mol
LogP-1.43
Rot. Bonds1

About 4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazine-2,6-dione

4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazine-2,6-dione (PubChem CID 80855882) has the molecular formula C7H7ClN6O2 and a molecular weight of 242.63 g/mol. Its IUPAC name is 4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazine-2,6-dione
PubChem CID80855882
Molecular FormulaC7H7ClN6O2
Molecular Weight242.63 g/mol
Exact Mass242.03
IUPAC Name4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazine-2,6-dione
SMILESNc1nc(Cl)nc(N2CC(=O)NC(=O)C2)n1
InChIInChI=1S/C7H7ClN6O2/c8-5-11-6(9)13-7(12-5)14-1-3(15)10-4(16)2-14/h1-2H2,(H,10,15,16)(H2,9,11,12,13)
InChIKeyRLFIXXNZKUKSKB-UHFFFAOYSA-N
XLogP-1.43
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.63
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazine-2,6-dione with MolForge

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Related Compounds

4-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80832674
4-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]piperazine-2,6-dione
CID 80855576
4-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80855646
4-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80855886
4-(azocan-1-yl)-6-chloro-1,3,5-triazin-2-amine
CID 80764933
4-(4-amino-6-chloro-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one
CID 80833566
4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-2,6-dione
CID 66281222
[1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
CID 80757183
4-(2-amino-5-chlorophenyl)piperazine-2,6-dione
CID 115469095
4-chloro-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine
CID 80824389
4-(2-chloroquinazolin-4-yl)piperazine-2,6-dione
CID 66063785
4-(4-amino-2-chlorophenyl)piperazine-2,6-dione
CID 66083498

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazine-2,6-dione?
The IUPAC name of 4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazine-2,6-dione (CID 80855882) is 4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazine-2,6-dione.
What is the SMILES notation for 4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazine-2,6-dione?
The canonical SMILES for 4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazine-2,6-dione is Nc1nc(Cl)nc(N2CC(=O)NC(=O)C2)n1.
What is the InChIKey of 4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazine-2,6-dione?
The InChIKey is RLFIXXNZKUKSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN6O2/c8-5-11-6(9)13-7(12-5)14-1-3(15)10-4(16)2-14/h1-2H2,(H,10,15,16)(H2,9,11,12,13).
What are the key properties of 4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazine-2,6-dione?
4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazine-2,6-dione has a molecular weight of 242.63 g/mol, XLogP of -1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazine-2,6-dione is sourced from PubChem (CID 80855882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).