6-hydroxy-1,3-dipropyl-5-prop-2-ynyl-1,3,5-triazinane-2,4-dione

C12H19N3O3 — CID 146326237

IUPAC6-hydroxy-1,3-dipropyl-5-prop-2-ynyl-1,3,5-triazinane-2,4-dione
SMILESC#CCN1C(=O)N(CCC)C(=O)N(CCC)C1O
InChIInChI=1S/C12H19N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h1,10,16H,5-9H2,2-3H3
InChIKeyYJRCSWIESWPISW-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.88
Rot. Bonds5

About 6-hydroxy-1,3-dipropyl-5-prop-2-ynyl-1,3,5-triazinane-2,4-dione

6-hydroxy-1,3-dipropyl-5-prop-2-ynyl-1,3,5-triazinane-2,4-dione (PubChem CID 146326237) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 6-hydroxy-1,3-dipropyl-5-prop-2-ynyl-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3-dipropyl-5-prop-2-ynyl-1,3,5-triazinane-2,4-dione
PubChem CID146326237
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name6-hydroxy-1,3-dipropyl-5-prop-2-ynyl-1,3,5-triazinane-2,4-dione
SMILESC#CCN1C(=O)N(CCC)C(=O)N(CCC)C1O
InChIInChI=1S/C12H19N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h1,10,16H,5-9H2,2-3H3
InChIKeyYJRCSWIESWPISW-UHFFFAOYSA-N
XLogP0.88
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3-dipropyl-5-prop-2-ynyl-1,3,5-triazinane-2,4-dione?
The IUPAC name of 6-hydroxy-1,3-dipropyl-5-prop-2-ynyl-1,3,5-triazinane-2,4-dione (CID 146326237) is 6-hydroxy-1,3-dipropyl-5-prop-2-ynyl-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3-dipropyl-5-prop-2-ynyl-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3-dipropyl-5-prop-2-ynyl-1,3,5-triazinane-2,4-dione is C#CCN1C(=O)N(CCC)C(=O)N(CCC)C1O.
What is the InChIKey of 6-hydroxy-1,3-dipropyl-5-prop-2-ynyl-1,3,5-triazinane-2,4-dione?
The InChIKey is YJRCSWIESWPISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h1,10,16H,5-9H2,2-3H3.
What are the key properties of 6-hydroxy-1,3-dipropyl-5-prop-2-ynyl-1,3,5-triazinane-2,4-dione?
6-hydroxy-1,3-dipropyl-5-prop-2-ynyl-1,3,5-triazinane-2,4-dione has a molecular weight of 253.30 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-dipropyl-5-prop-2-ynyl-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 146326237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).