6-(2-hydroxyethyl)-1H-1,3,5-triazine-2,4-dione

C5H7N3O3 — CID 45092655

IUPAC6-(2-hydroxyethyl)-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(CCO)[nH]c(=O)[nH]1
InChIInChI=1S/C5H7N3O3/c9-2-1-3-6-4(10)8-5(11)7-3/h9H,1-2H2,(H2,6,7,8,10,11)
InChIKeyCICMENFVVBJQQO-UHFFFAOYSA-N
MW157.13 g/mol
LogP-2.01
Rot. Bonds2

About 6-(2-hydroxyethyl)-1H-1,3,5-triazine-2,4-dione

6-(2-hydroxyethyl)-1H-1,3,5-triazine-2,4-dione (PubChem CID 45092655) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-1H-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-1H-1,3,5-triazine-2,4-dione
PubChem CID45092655
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC Name6-(2-hydroxyethyl)-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(CCO)[nH]c(=O)[nH]1
InChIInChI=1S/C5H7N3O3/c9-2-1-3-6-4(10)8-5(11)7-3/h9H,1-2H2,(H2,6,7,8,10,11)
InChIKeyCICMENFVVBJQQO-UHFFFAOYSA-N
XLogP-2.01
TPSA98.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-2.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-hydroxyethyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136968138
6-(2-hydroxyethylamino)-1H-1,3,5-triazine-2,4-dione
CID 71392003
6-phenacyl-1H-1,3,5-triazine-2,4-dione
CID 17065353
4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylic acid
CID 46782654
8-(7-hydroxyheptyl)-3,7-dihydropurine-2,6-dione
CID 54052598
6-[(Z)-2-hydroxyprop-1-enyl]-1H-1,3,5-triazine-2,4-dione
CID 139176615
4,6-dioxo-1H-1,3,5-triazine-2-carboxylate
CID 3748774
sodium 4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid
CID 54598356
6-(1,2,4-triazol-4-yl)-1H-1,3,5-triazine-2,4-dione
CID 165354153
6-amino-1H-1,3,5-triazine-2,4-dione;1,3,5-triazine-2,4,6-triamine
CID 69404310
aminoazanium;4,6-dioxo-1H-1,3,5-triazin-2-olate
CID 132647845
8-(hydroxymethyl)-3,7-dihydropurine-2,6-dione
CID 115647659

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-1H-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-(2-hydroxyethyl)-1H-1,3,5-triazine-2,4-dione (CID 45092655) is 6-(2-hydroxyethyl)-1H-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-(2-hydroxyethyl)-1H-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-(2-hydroxyethyl)-1H-1,3,5-triazine-2,4-dione is O=c1nc(CCO)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(2-hydroxyethyl)-1H-1,3,5-triazine-2,4-dione?
The InChIKey is CICMENFVVBJQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3/c9-2-1-3-6-4(10)8-5(11)7-3/h9H,1-2H2,(H2,6,7,8,10,11).
What are the key properties of 6-(2-hydroxyethyl)-1H-1,3,5-triazine-2,4-dione?
6-(2-hydroxyethyl)-1H-1,3,5-triazine-2,4-dione has a molecular weight of 157.13 g/mol, XLogP of -2.01, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-1H-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 45092655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).