1-[(1R,2S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazine-2,4-dione

C8H13N3O6 — CID 71167876

IUPAC1-[(1R,2S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazine-2,4-dione
SMILESO=c1ncn([C@H](OCCO)[C@@H](O)CO)c(=O)[nH]1
InChIInChI=1S/C8H13N3O6/c12-1-2-17-6(5(14)3-13)11-4-9-7(15)10-8(11)16/h4-6,12-14H,1-3H2,(H,10,15,16)/t5-,6+/m0/s1
InChIKeyZLYMZZYNGHMYTR-NTSWFWBYSA-N
MW247.21 g/mol
LogP-3.21
Rot. Bonds6

About 1-[(1R,2S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazine-2,4-dione

1-[(1R,2S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazine-2,4-dione (PubChem CID 71167876) has the molecular formula C8H13N3O6 and a molecular weight of 247.21 g/mol. Its IUPAC name is 1-[(1R,2S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name1-[(1R,2S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazine-2,4-dione
PubChem CID71167876
Molecular FormulaC8H13N3O6
Molecular Weight247.21 g/mol
Exact Mass247.08
IUPAC Name1-[(1R,2S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazine-2,4-dione
SMILESO=c1ncn([C@H](OCCO)[C@@H](O)CO)c(=O)[nH]1
InChIInChI=1S/C8H13N3O6/c12-1-2-17-6(5(14)3-13)11-4-9-7(15)10-8(11)16/h4-6,12-14H,1-3H2,(H,10,15,16)/t5-,6+/m0/s1
InChIKeyZLYMZZYNGHMYTR-NTSWFWBYSA-N
XLogP-3.21
TPSA137.67 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 5-3.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazine-2,4-dione?
The IUPAC name of 1-[(1R,2S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazine-2,4-dione (CID 71167876) is 1-[(1R,2S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 1-[(1R,2S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazine-2,4-dione?
The canonical SMILES for 1-[(1R,2S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazine-2,4-dione is O=c1ncn([C@H](OCCO)[C@@H](O)CO)c(=O)[nH]1.
What is the InChIKey of 1-[(1R,2S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazine-2,4-dione?
The InChIKey is ZLYMZZYNGHMYTR-NTSWFWBYSA-N. The full InChI is InChI=1S/C8H13N3O6/c12-1-2-17-6(5(14)3-13)11-4-9-7(15)10-8(11)16/h4-6,12-14H,1-3H2,(H,10,15,16)/t5-,6+/m0/s1.
What are the key properties of 1-[(1R,2S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazine-2,4-dione?
1-[(1R,2S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazine-2,4-dione has a molecular weight of 247.21 g/mol, XLogP of -3.21, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2,3-dihydroxy-1-(2-hydroxyethoxy)propyl]-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 71167876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).