1-(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione

C5H7N3O5 — CID 20516606

IUPAC1-(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)n(C(O)CO)c(=O)[nH]1
InChIInChI=1S/C5H7N3O5/c9-1-2(10)8-4(12)6-3(11)7-5(8)13/h2,9-10H,1H2,(H2,6,7,11,12,13)
InChIKeyHVFMOOWDHPBBCY-UHFFFAOYSA-N
MW189.13 g/mol
LogP-3.29
Rot. Bonds2

About 1-(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione

1-(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 20516606) has the molecular formula C5H7N3O5 and a molecular weight of 189.13 g/mol. Its IUPAC name is 1-(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID20516606
Molecular FormulaC5H7N3O5
Molecular Weight189.13 g/mol
Exact Mass189.04
IUPAC Name1-(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)n(C(O)CO)c(=O)[nH]1
InChIInChI=1S/C5H7N3O5/c9-1-2(10)8-4(12)6-3(11)7-5(8)13/h2,9-10H,1H2,(H2,6,7,11,12,13)
InChIKeyHVFMOOWDHPBBCY-UHFFFAOYSA-N
XLogP-3.29
TPSA128.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.13
LogP ≤ 5-3.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione (CID 20516606) is 1-(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione is O=c1[nH]c(=O)n(C(O)CO)c(=O)[nH]1.
What is the InChIKey of 1-(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is HVFMOOWDHPBBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O5/c9-1-2(10)8-4(12)6-3(11)7-5(8)13/h2,9-10H,1H2,(H2,6,7,11,12,13).
What are the key properties of 1-(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione?
1-(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 189.13 g/mol, XLogP of -3.29, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydroxyethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 20516606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).