4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazine-2,6-dione

C9H10ClN5O3 — CID 66073724

IUPAC4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazine-2,6-dione
SMILESCOc1nc(Cl)nc(N2CC(=O)NC(=O)C2C)n1
InChIInChI=1S/C9H10ClN5O3/c1-4-6(17)11-5(16)3-15(4)8-12-7(10)13-9(14-8)18-2/h4H,3H2,1-2H3,(H,11,16,17)
InChIKeyGGHAVLVWSUWGCI-UHFFFAOYSA-N
MW271.66 g/mol
LogP-0.62
Rot. Bonds2

About 4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazine-2,6-dione

4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazine-2,6-dione (PubChem CID 66073724) has the molecular formula C9H10ClN5O3 and a molecular weight of 271.66 g/mol. Its IUPAC name is 4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazine-2,6-dione
PubChem CID66073724
Molecular FormulaC9H10ClN5O3
Molecular Weight271.66 g/mol
Exact Mass271.05
IUPAC Name4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazine-2,6-dione
SMILESCOc1nc(Cl)nc(N2CC(=O)NC(=O)C2C)n1
InChIInChI=1S/C9H10ClN5O3/c1-4-6(17)11-5(16)3-15(4)8-12-7(10)13-9(14-8)18-2/h4H,3H2,1-2H3,(H,11,16,17)
InChIKeyGGHAVLVWSUWGCI-UHFFFAOYSA-N
XLogP-0.62
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.66
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazine-2,6-dione (CID 66073724) is 4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazine-2,6-dione is COc1nc(Cl)nc(N2CC(=O)NC(=O)C2C)n1.
What is the InChIKey of 4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazine-2,6-dione?
The InChIKey is GGHAVLVWSUWGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O3/c1-4-6(17)11-5(16)3-15(4)8-12-7(10)13-9(14-8)18-2/h4H,3H2,1-2H3,(H,11,16,17).
What are the key properties of 4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazine-2,6-dione?
4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazine-2,6-dione has a molecular weight of 271.66 g/mol, XLogP of -0.62, 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-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66073724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).