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

C12H21N3O3 — CID 91552240

IUPAC1-tert-butyl-3-ethyl-5-propan-2-yl-1,3,5-triazinane-2,4,6-trione
SMILESCCn1c(=O)n(C(C)C)c(=O)n(C(C)(C)C)c1=O
InChIInChI=1S/C12H21N3O3/c1-7-13-9(16)14(8(2)3)11(18)15(10(13)17)12(4,5)6/h8H,7H2,1-6H3
InChIKeyYDEURCDZSVZEFX-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.53
Rot. Bonds2

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

1-tert-butyl-3-ethyl-5-propan-2-yl-1,3,5-triazinane-2,4,6-trione (PubChem CID 91552240) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-tert-butyl-3-ethyl-5-propan-2-yl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-tert-butyl-3-ethyl-5-propan-2-yl-1,3,5-triazinane-2,4,6-trione
PubChem CID91552240
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-tert-butyl-3-ethyl-5-propan-2-yl-1,3,5-triazinane-2,4,6-trione
SMILESCCn1c(=O)n(C(C)C)c(=O)n(C(C)(C)C)c1=O
InChIInChI=1S/C12H21N3O3/c1-7-13-9(16)14(8(2)3)11(18)15(10(13)17)12(4,5)6/h8H,7H2,1-6H3
InChIKeyYDEURCDZSVZEFX-UHFFFAOYSA-N
XLogP0.53
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-tripropyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
CID 77630
1,3,5-Triethyl-1,3,5-triazinane-2,4,6-trione
CID 10130566
1,3,5-Tributyl-1,3,5-triazinane-2,4,6-trione
CID 617924
1,3,5-Tri(propan-2-yl)-1,3,5-triazinane-2,4-dione
CID 21574862
1,3,5-Tri(propan-2-yl)-1,3,5-triazinane-2,4,6-trione
CID 13059222
1,3-Dimethyl-5-propan-2-yl-1,3,5-triazinan-2-one
CID 15395303
N-(dimethylcarbamoyl)-N-methyl-4-propan-2-ylpiperazine-1-carboxamide
CID 3066980
1,3,5-Tripropyl-1,3,5-triazinane-2,4-dione
CID 21574859
5-Butan-2-yl-1,3-dimethyl-1,3,5-triazinan-2-one
CID 15395305
1,3,5-Triazine-1,3-dicarboxaldehyde, hexahydro-5-tert-butyl-
CID 550706
1,3,5-Triethyl-1,3,5-triazinane-2,4-dione
CID 21574858
1,3,5-Tris(2-methylpropyl)-1,3,5-triazinane-2,4-dione
CID 21574861

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-ethyl-5-propan-2-yl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-tert-butyl-3-ethyl-5-propan-2-yl-1,3,5-triazinane-2,4,6-trione (CID 91552240) is 1-tert-butyl-3-ethyl-5-propan-2-yl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-tert-butyl-3-ethyl-5-propan-2-yl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-tert-butyl-3-ethyl-5-propan-2-yl-1,3,5-triazinane-2,4,6-trione is CCn1c(=O)n(C(C)C)c(=O)n(C(C)(C)C)c1=O.
What is the InChIKey of 1-tert-butyl-3-ethyl-5-propan-2-yl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is YDEURCDZSVZEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-7-13-9(16)14(8(2)3)11(18)15(10(13)17)12(4,5)6/h8H,7H2,1-6H3.
What are the key properties of 1-tert-butyl-3-ethyl-5-propan-2-yl-1,3,5-triazinane-2,4,6-trione?
1-tert-butyl-3-ethyl-5-propan-2-yl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 255.32 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-ethyl-5-propan-2-yl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 91552240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).