1-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione

C10H17N3O3 — CID 166726321

IUPAC1-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione
SMILESCCCCn1c(=O)n(C)c(=O)n(CC)c1=O
InChIInChI=1S/C10H17N3O3/c1-4-6-7-13-9(15)11(3)8(14)12(5-2)10(13)16/h4-7H2,1-3H3
InChIKeyJLPHNYAKOQCHSH-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.47
Rot. Bonds4

About 1-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione

1-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 166726321) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione
PubChem CID166726321
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name1-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione
SMILESCCCCn1c(=O)n(C)c(=O)n(CC)c1=O
InChIInChI=1S/C10H17N3O3/c1-4-6-7-13-9(15)11(3)8(14)12(5-2)10(13)16/h4-7H2,1-3H3
InChIKeyJLPHNYAKOQCHSH-UHFFFAOYSA-N
XLogP-0.47
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dihexyl-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 140791594
1-ethyl-3,5-diheptyl-1,3,5-triazinane-2,4,6-trione;methane
CID 160918747
1,3-bis(3-hydroxypropyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 12062943
1-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione
CID 143274636
1-methyl-3-nonyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
CID 90337163
methane;molecular iodine;1,3,5-triheptyl-1,3,5-triazinane-2,4,6-trione
CID 161402210
1,3-dibutyl-5-prop-2-ynyl-1,3,5-triazinane-2,4,6-trione
CID 155767075
1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 12612565
1,3-bis(5-bromopentyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 15472270
1-ethyl-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;methane
CID 159762511
3-butyl-7-ethyl-1-methyl-8-(methylamino)purine-2,6-dione
CID 82464795
1-tert-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 149302621

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione (CID 166726321) is 1-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione is CCCCn1c(=O)n(C)c(=O)n(CC)c1=O.
What is the InChIKey of 1-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is JLPHNYAKOQCHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-4-6-7-13-9(15)11(3)8(14)12(5-2)10(13)16/h4-7H2,1-3H3.
What are the key properties of 1-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione?
1-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 227.26 g/mol, XLogP of -0.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 166726321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).