1-propyl-1,3,5-triazinane-2,4,6-trione

C6H9N3O3 — CID 23296807

IUPAC1-propyl-1,3,5-triazinane-2,4,6-trione
SMILESCCCn1c(=O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H9N3O3/c1-2-3-9-5(11)7-4(10)8-6(9)12/h2-3H2,1H3,(H2,7,8,10,11,12)
InChIKeyVYVKXVSXGURHJH-UHFFFAOYSA-N
MW171.16 g/mol
LogP-1.37
Rot. Bonds2

About 1-propyl-1,3,5-triazinane-2,4,6-trione

1-propyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 23296807) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 1-propyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-propyl-1,3,5-triazinane-2,4,6-trione
PubChem CID23296807
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name1-propyl-1,3,5-triazinane-2,4,6-trione
SMILESCCCn1c(=O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H9N3O3/c1-2-3-9-5(11)7-4(10)8-6(9)12/h2-3H2,1H3,(H2,7,8,10,11,12)
InChIKeyVYVKXVSXGURHJH-UHFFFAOYSA-N
XLogP-1.37
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-propyl-1,3,5-triazinane-2,4,6-trione (CID 23296807) is 1-propyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-propyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-propyl-1,3,5-triazinane-2,4,6-trione is CCCn1c(=O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 1-propyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is VYVKXVSXGURHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-2-3-9-5(11)7-4(10)8-6(9)12/h2-3H2,1H3,(H2,7,8,10,11,12).
What are the key properties of 1-propyl-1,3,5-triazinane-2,4,6-trione?
1-propyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 171.16 g/mol, XLogP of -1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 23296807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).