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

C7H13N3O3 — CID 23112529

IUPAC1-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione
SMILESCCCCN1C(=O)NC(=O)NC1O
InChIInChI=1S/C7H13N3O3/c1-2-3-4-10-6(12)8-5(11)9-7(10)13/h6,12H,2-4H2,1H3,(H2,8,9,11,13)
InChIKeyHHCNRDJYEVBDLT-UHFFFAOYSA-N
MW187.20 g/mol
LogP-0.20
Rot. Bonds3

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

1-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione (PubChem CID 23112529) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is 1-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name1-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione
PubChem CID23112529
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name1-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione
SMILESCCCCN1C(=O)NC(=O)NC1O
InChIInChI=1S/C7H13N3O3/c1-2-3-4-10-6(12)8-5(11)9-7(10)13/h6,12H,2-4H2,1H3,(H2,8,9,11,13)
InChIKeyHHCNRDJYEVBDLT-UHFFFAOYSA-N
XLogP-0.20
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione?
The IUPAC name of 1-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione (CID 23112529) is 1-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 1-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 1-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione is CCCCN1C(=O)NC(=O)NC1O.
What is the InChIKey of 1-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione?
The InChIKey is HHCNRDJYEVBDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3/c1-2-3-4-10-6(12)8-5(11)9-7(10)13/h6,12H,2-4H2,1H3,(H2,8,9,11,13).
What are the key properties of 1-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione?
1-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione has a molecular weight of 187.20 g/mol, XLogP of -0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 23112529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).