6-hydroxy-1,3-dimethyl-5-propyl-1,3,5-triazinane-2,4-dione

C8H15N3O3 — CID 167199538

IUPAC6-hydroxy-1,3-dimethyl-5-propyl-1,3,5-triazinane-2,4-dione
SMILESCCCN1C(=O)N(C)C(=O)N(C)C1O
InChIInChI=1S/C8H15N3O3/c1-4-5-11-7(13)9(2)6(12)10(3)8(11)14/h7,13H,4-5H2,1-3H3
InChIKeyBQARNSXSBOMXLV-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.09
Rot. Bonds2

About 6-hydroxy-1,3-dimethyl-5-propyl-1,3,5-triazinane-2,4-dione

6-hydroxy-1,3-dimethyl-5-propyl-1,3,5-triazinane-2,4-dione (PubChem CID 167199538) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is 6-hydroxy-1,3-dimethyl-5-propyl-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3-dimethyl-5-propyl-1,3,5-triazinane-2,4-dione
PubChem CID167199538
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name6-hydroxy-1,3-dimethyl-5-propyl-1,3,5-triazinane-2,4-dione
SMILESCCCN1C(=O)N(C)C(=O)N(C)C1O
InChIInChI=1S/C8H15N3O3/c1-4-5-11-7(13)9(2)6(12)10(3)8(11)14/h7,13H,4-5H2,1-3H3
InChIKeyBQARNSXSBOMXLV-UHFFFAOYSA-N
XLogP0.09
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3-dimethyl-5-propyl-1,3,5-triazinane-2,4-dione?
The IUPAC name of 6-hydroxy-1,3-dimethyl-5-propyl-1,3,5-triazinane-2,4-dione (CID 167199538) is 6-hydroxy-1,3-dimethyl-5-propyl-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3-dimethyl-5-propyl-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3-dimethyl-5-propyl-1,3,5-triazinane-2,4-dione is CCCN1C(=O)N(C)C(=O)N(C)C1O.
What is the InChIKey of 6-hydroxy-1,3-dimethyl-5-propyl-1,3,5-triazinane-2,4-dione?
The InChIKey is BQARNSXSBOMXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-4-5-11-7(13)9(2)6(12)10(3)8(11)14/h7,13H,4-5H2,1-3H3.
What are the key properties of 6-hydroxy-1,3-dimethyl-5-propyl-1,3,5-triazinane-2,4-dione?
6-hydroxy-1,3-dimethyl-5-propyl-1,3,5-triazinane-2,4-dione has a molecular weight of 201.23 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-dimethyl-5-propyl-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 167199538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).