6-(4-methylsulfonylpiperazine-1-carbonyl)-4-phenyl-1H-1,3,5-triazin-2-one

C15H17N5O4S — CID 165141445

IUPAC6-(4-methylsulfonylpiperazine-1-carbonyl)-4-phenyl-1H-1,3,5-triazin-2-one
SMILESCS(=O)(=O)N1CCN(C(=O)c2nc(-c3ccccc3)nc(=O)[nH]2)CC1
InChIInChI=1S/C15H17N5O4S/c1-25(23,24)20-9-7-19(8-10-20)14(21)13-16-12(17-15(22)18-13)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,16,17,18,22)
InChIKeyQLNSGYFJZUYFPT-UHFFFAOYSA-N
MW363.40 g/mol
LogP-0.45
Rot. Bonds3

About 6-(4-methylsulfonylpiperazine-1-carbonyl)-4-phenyl-1H-1,3,5-triazin-2-one

6-(4-methylsulfonylpiperazine-1-carbonyl)-4-phenyl-1H-1,3,5-triazin-2-one (PubChem CID 165141445) has the molecular formula C15H17N5O4S and a molecular weight of 363.40 g/mol. Its IUPAC name is 6-(4-methylsulfonylpiperazine-1-carbonyl)-4-phenyl-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-(4-methylsulfonylpiperazine-1-carbonyl)-4-phenyl-1H-1,3,5-triazin-2-one
PubChem CID165141445
Molecular FormulaC15H17N5O4S
Molecular Weight363.40 g/mol
Exact Mass363.10
IUPAC Name6-(4-methylsulfonylpiperazine-1-carbonyl)-4-phenyl-1H-1,3,5-triazin-2-one
SMILESCS(=O)(=O)N1CCN(C(=O)c2nc(-c3ccccc3)nc(=O)[nH]2)CC1
InChIInChI=1S/C15H17N5O4S/c1-25(23,24)20-9-7-19(8-10-20)14(21)13-16-12(17-15(22)18-13)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,16,17,18,22)
InChIKeyQLNSGYFJZUYFPT-UHFFFAOYSA-N
XLogP-0.45
TPSA116.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfonylpiperazine-1-carbonyl)-4-phenyl-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-(4-methylsulfonylpiperazine-1-carbonyl)-4-phenyl-1H-1,3,5-triazin-2-one (CID 165141445) is 6-(4-methylsulfonylpiperazine-1-carbonyl)-4-phenyl-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-(4-methylsulfonylpiperazine-1-carbonyl)-4-phenyl-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-(4-methylsulfonylpiperazine-1-carbonyl)-4-phenyl-1H-1,3,5-triazin-2-one is CS(=O)(=O)N1CCN(C(=O)c2nc(-c3ccccc3)nc(=O)[nH]2)CC1.
What is the InChIKey of 6-(4-methylsulfonylpiperazine-1-carbonyl)-4-phenyl-1H-1,3,5-triazin-2-one?
The InChIKey is QLNSGYFJZUYFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O4S/c1-25(23,24)20-9-7-19(8-10-20)14(21)13-16-12(17-15(22)18-13)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,16,17,18,22).
What are the key properties of 6-(4-methylsulfonylpiperazine-1-carbonyl)-4-phenyl-1H-1,3,5-triazin-2-one?
6-(4-methylsulfonylpiperazine-1-carbonyl)-4-phenyl-1H-1,3,5-triazin-2-one has a molecular weight of 363.40 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfonylpiperazine-1-carbonyl)-4-phenyl-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 165141445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).