1,3-dichloro-5-(2,4,6-trimethylphenyl)-1,3,5-triazinane-2,4,6-trione

C12H11Cl2N3O3 — CID 139629140

IUPAC1,3-dichloro-5-(2,4,6-trimethylphenyl)-1,3,5-triazinane-2,4,6-trione
SMILESCc1cc(C)c(-n2c(=O)n(Cl)c(=O)n(Cl)c2=O)c(C)c1
InChIInChI=1S/C12H11Cl2N3O3/c1-6-4-7(2)9(8(3)5-6)15-10(18)16(13)12(20)17(14)11(15)19/h4-5H,1-3H3
InChIKeyJQKHAGABHRMVRK-UHFFFAOYSA-N
MW316.14 g/mol
LogP1.09
Rot. Bonds1

About 1,3-dichloro-5-(2,4,6-trimethylphenyl)-1,3,5-triazinane-2,4,6-trione

1,3-dichloro-5-(2,4,6-trimethylphenyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 139629140) has the molecular formula C12H11Cl2N3O3 and a molecular weight of 316.14 g/mol. Its IUPAC name is 1,3-dichloro-5-(2,4,6-trimethylphenyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dichloro-5-(2,4,6-trimethylphenyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID139629140
Molecular FormulaC12H11Cl2N3O3
Molecular Weight316.14 g/mol
Exact Mass315.02
IUPAC Name1,3-dichloro-5-(2,4,6-trimethylphenyl)-1,3,5-triazinane-2,4,6-trione
SMILESCc1cc(C)c(-n2c(=O)n(Cl)c(=O)n(Cl)c2=O)c(C)c1
InChIInChI=1S/C12H11Cl2N3O3/c1-6-4-7(2)9(8(3)5-6)15-10(18)16(13)12(20)17(14)11(15)19/h4-5H,1-3H3
InChIKeyJQKHAGABHRMVRK-UHFFFAOYSA-N
XLogP1.09
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.14
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-(2,4,6-trimethylphenyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-dichloro-5-(2,4,6-trimethylphenyl)-1,3,5-triazinane-2,4,6-trione (CID 139629140) is 1,3-dichloro-5-(2,4,6-trimethylphenyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dichloro-5-(2,4,6-trimethylphenyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-dichloro-5-(2,4,6-trimethylphenyl)-1,3,5-triazinane-2,4,6-trione is Cc1cc(C)c(-n2c(=O)n(Cl)c(=O)n(Cl)c2=O)c(C)c1.
What is the InChIKey of 1,3-dichloro-5-(2,4,6-trimethylphenyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is JQKHAGABHRMVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O3/c1-6-4-7(2)9(8(3)5-6)15-10(18)16(13)12(20)17(14)11(15)19/h4-5H,1-3H3.
What are the key properties of 1,3-dichloro-5-(2,4,6-trimethylphenyl)-1,3,5-triazinane-2,4,6-trione?
1,3-dichloro-5-(2,4,6-trimethylphenyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 316.14 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-(2,4,6-trimethylphenyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 139629140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).