6-hydroxy-1,3,5-tripropyl-1,3,5-triazinane-2,4-dione

C12H23N3O3 — CID 129194595

IUPAC6-hydroxy-1,3,5-tripropyl-1,3,5-triazinane-2,4-dione
SMILESCCCN1C(=O)N(CCC)C(O)N(CCC)C1=O
InChIInChI=1S/C12H23N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h10,16H,4-9H2,1-3H3
InChIKeyVSJBOCWEEIOJMV-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.65
Rot. Bonds6

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

6-hydroxy-1,3,5-tripropyl-1,3,5-triazinane-2,4-dione (PubChem CID 129194595) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 6-hydroxy-1,3,5-tripropyl-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3,5-tripropyl-1,3,5-triazinane-2,4-dione
PubChem CID129194595
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name6-hydroxy-1,3,5-tripropyl-1,3,5-triazinane-2,4-dione
SMILESCCCN1C(=O)N(CCC)C(O)N(CCC)C1=O
InChIInChI=1S/C12H23N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h10,16H,4-9H2,1-3H3
InChIKeyVSJBOCWEEIOJMV-UHFFFAOYSA-N
XLogP1.65
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,5-Triazin-2(1H)-one, 5-ethyltetrahydro-1,3-bis(hydroxymethyl)-
CID 67261
2(1H)-Pyrimidinone, tetrahydro-1,3-bis(hydroxymethyl)-
CID 76756
1,3,5-tripropyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
CID 77630
1,3,5-Tributyl-1,3,5-triazinane-2,4,6-trione
CID 617924
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-hydroxypropyl)-
CID 11120211
1,3,5-Triazin-2(1H)-one, 5-butyltetrahydro-1,3-bis(hydroxymethyl)-
CID 85379
3,5-Bis(3-hydroxypropyl)-1-methyl-1,3,5-tri-azine-2,4,6(1h,3h,5h)-trione
CID 12062943
Tris(hydroxy ethyl)isocyanurate
CID 21885027
1-Ethyl-3,5-bis(hydroxymethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
CID 104374
1,3,5-Tripropyl-1,3,5-triazinane-2,4-dione
CID 21574859
Tetrahydro-1,3-bis(hydroxymethyl)-5-propyl-1,3,5-triazin-2(1H)-one
CID 11971069
1,3,5-Triethyl-1,3,5-triazinane-2,4-dione
CID 21574858

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3,5-tripropyl-1,3,5-triazinane-2,4-dione?
The IUPAC name of 6-hydroxy-1,3,5-tripropyl-1,3,5-triazinane-2,4-dione (CID 129194595) is 6-hydroxy-1,3,5-tripropyl-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3,5-tripropyl-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3,5-tripropyl-1,3,5-triazinane-2,4-dione is CCCN1C(=O)N(CCC)C(O)N(CCC)C1=O.
What is the InChIKey of 6-hydroxy-1,3,5-tripropyl-1,3,5-triazinane-2,4-dione?
The InChIKey is VSJBOCWEEIOJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h10,16H,4-9H2,1-3H3.
What are the key properties of 6-hydroxy-1,3,5-tripropyl-1,3,5-triazinane-2,4-dione?
6-hydroxy-1,3,5-tripropyl-1,3,5-triazinane-2,4-dione has a molecular weight of 257.33 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3,5-tripropyl-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 129194595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).