1-tert-butyl-3-propan-2-yl-1,3,5-triazinane-2,4,6-trione

C10H17N3O3 — CID 21400353

IUPAC1-tert-butyl-3-propan-2-yl-1,3,5-triazinane-2,4,6-trione
SMILESCC(C)n1c(=O)[nH]c(=O)n(C(C)(C)C)c1=O
InChIInChI=1S/C10H17N3O3/c1-6(2)12-7(14)11-8(15)13(9(12)16)10(3,4)5/h6H,1-5H3,(H,11,14,15)
InChIKeyDKHPWFALFDDYFK-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.03
Rot. Bonds1

About 1-tert-butyl-3-propan-2-yl-1,3,5-triazinane-2,4,6-trione

1-tert-butyl-3-propan-2-yl-1,3,5-triazinane-2,4,6-trione (PubChem CID 21400353) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-tert-butyl-3-propan-2-yl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-tert-butyl-3-propan-2-yl-1,3,5-triazinane-2,4,6-trione
PubChem CID21400353
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name1-tert-butyl-3-propan-2-yl-1,3,5-triazinane-2,4,6-trione
SMILESCC(C)n1c(=O)[nH]c(=O)n(C(C)(C)C)c1=O
InChIInChI=1S/C10H17N3O3/c1-6(2)12-7(14)11-8(15)13(9(12)16)10(3,4)5/h6H,1-5H3,(H,11,14,15)
InChIKeyDKHPWFALFDDYFK-UHFFFAOYSA-N
XLogP0.03
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-propan-2-yl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-tert-butyl-3-propan-2-yl-1,3,5-triazinane-2,4,6-trione (CID 21400353) is 1-tert-butyl-3-propan-2-yl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-tert-butyl-3-propan-2-yl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-tert-butyl-3-propan-2-yl-1,3,5-triazinane-2,4,6-trione is CC(C)n1c(=O)[nH]c(=O)n(C(C)(C)C)c1=O.
What is the InChIKey of 1-tert-butyl-3-propan-2-yl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is DKHPWFALFDDYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-6(2)12-7(14)11-8(15)13(9(12)16)10(3,4)5/h6H,1-5H3,(H,11,14,15).
What are the key properties of 1-tert-butyl-3-propan-2-yl-1,3,5-triazinane-2,4,6-trione?
1-tert-butyl-3-propan-2-yl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 227.26 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-propan-2-yl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 21400353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).