6-(4-chlorophenyl)-4-(dimethylamino)-1H-1,3,5-triazin-2-one

C11H11ClN4O — CID 135419047

IUPAC6-(4-chlorophenyl)-4-(dimethylamino)-1H-1,3,5-triazin-2-one
SMILESCN(C)c1nc(-c2ccc(Cl)cc2)[nH]c(=O)n1
InChIInChI=1S/C11H11ClN4O/c1-16(2)10-13-9(14-11(17)15-10)7-3-5-8(12)6-4-7/h3-6H,1-2H3,(H,13,14,15,17)
InChIKeyXSUZMEKRMCWIPJ-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.55
Rot. Bonds2

About 6-(4-chlorophenyl)-4-(dimethylamino)-1H-1,3,5-triazin-2-one

6-(4-chlorophenyl)-4-(dimethylamino)-1H-1,3,5-triazin-2-one (PubChem CID 135419047) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-(dimethylamino)-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-(dimethylamino)-1H-1,3,5-triazin-2-one
PubChem CID135419047
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name6-(4-chlorophenyl)-4-(dimethylamino)-1H-1,3,5-triazin-2-one
SMILESCN(C)c1nc(-c2ccc(Cl)cc2)[nH]c(=O)n1
InChIInChI=1S/C11H11ClN4O/c1-16(2)10-13-9(14-11(17)15-10)7-3-5-8(12)6-4-7/h3-6H,1-2H3,(H,13,14,15,17)
InChIKeyXSUZMEKRMCWIPJ-UHFFFAOYSA-N
XLogP1.55
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-(dimethylamino)-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-(4-chlorophenyl)-4-(dimethylamino)-1H-1,3,5-triazin-2-one (CID 135419047) is 6-(4-chlorophenyl)-4-(dimethylamino)-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-(4-chlorophenyl)-4-(dimethylamino)-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-(4-chlorophenyl)-4-(dimethylamino)-1H-1,3,5-triazin-2-one is CN(C)c1nc(-c2ccc(Cl)cc2)[nH]c(=O)n1.
What is the InChIKey of 6-(4-chlorophenyl)-4-(dimethylamino)-1H-1,3,5-triazin-2-one?
The InChIKey is XSUZMEKRMCWIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-16(2)10-13-9(14-11(17)15-10)7-3-5-8(12)6-4-7/h3-6H,1-2H3,(H,13,14,15,17).
What are the key properties of 6-(4-chlorophenyl)-4-(dimethylamino)-1H-1,3,5-triazin-2-one?
6-(4-chlorophenyl)-4-(dimethylamino)-1H-1,3,5-triazin-2-one has a molecular weight of 250.69 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-4-(dimethylamino)-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 135419047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).