1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane-2,4,6-trione

C10H17N3O3 — CID 142286951

IUPAC1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane-2,4,6-trione
SMILESCC(C)n1c(=O)n(C)c(=O)n(C(C)C)c1=O
InChIInChI=1S/C10H17N3O3/c1-6(2)12-8(14)11(5)9(15)13(7(3)4)10(12)16/h6-7H,1-5H3
InChIKeyWUJYSJPCILQMOV-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.13
Rot. Bonds2

About 1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane-2,4,6-trione

1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 142286951) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane-2,4,6-trione
PubChem CID142286951
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane-2,4,6-trione
SMILESCC(C)n1c(=O)n(C)c(=O)n(C(C)C)c1=O
InChIInChI=1S/C10H17N3O3/c1-6(2)12-8(14)11(5)9(15)13(7(3)4)10(12)16/h6-7H,1-5H3
InChIKeyWUJYSJPCILQMOV-UHFFFAOYSA-N
XLogP-0.13
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane-2,4,6-trione (CID 142286951) is 1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane-2,4,6-trione is CC(C)n1c(=O)n(C)c(=O)n(C(C)C)c1=O.
What is the InChIKey of 1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is WUJYSJPCILQMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-6(2)12-8(14)11(5)9(15)13(7(3)4)10(12)16/h6-7H,1-5H3.
What are the key properties of 1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane-2,4,6-trione?
1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 227.26 g/mol, XLogP of -0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 142286951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).