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

C5H8N4O3 — CID 71392003

IUPAC6-(2-hydroxyethylamino)-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(NCCO)[nH]c(=O)[nH]1
InChIInChI=1S/C5H8N4O3/c10-2-1-6-3-7-4(11)9-5(12)8-3/h10H,1-2H2,(H3,6,7,8,9,11,12)
InChIKeyIGWPESAZNAWAFW-UHFFFAOYSA-N
MW172.14 g/mol
LogP-2.14
Rot. Bonds3

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

6-(2-hydroxyethylamino)-1H-1,3,5-triazine-2,4-dione (PubChem CID 71392003) has the molecular formula C5H8N4O3 and a molecular weight of 172.14 g/mol. Its IUPAC name is 6-(2-hydroxyethylamino)-1H-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-(2-hydroxyethylamino)-1H-1,3,5-triazine-2,4-dione
PubChem CID71392003
Molecular FormulaC5H8N4O3
Molecular Weight172.14 g/mol
Exact Mass172.06
IUPAC Name6-(2-hydroxyethylamino)-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(NCCO)[nH]c(=O)[nH]1
InChIInChI=1S/C5H8N4O3/c10-2-1-6-3-7-4(11)9-5(12)8-3/h10H,1-2H2,(H3,6,7,8,9,11,12)
InChIKeyIGWPESAZNAWAFW-UHFFFAOYSA-N
XLogP-2.14
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-2.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethylamino)-1H-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-(2-hydroxyethylamino)-1H-1,3,5-triazine-2,4-dione (CID 71392003) is 6-(2-hydroxyethylamino)-1H-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-(2-hydroxyethylamino)-1H-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-(2-hydroxyethylamino)-1H-1,3,5-triazine-2,4-dione is O=c1nc(NCCO)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(2-hydroxyethylamino)-1H-1,3,5-triazine-2,4-dione?
The InChIKey is IGWPESAZNAWAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O3/c10-2-1-6-3-7-4(11)9-5(12)8-3/h10H,1-2H2,(H3,6,7,8,9,11,12).
What are the key properties of 6-(2-hydroxyethylamino)-1H-1,3,5-triazine-2,4-dione?
6-(2-hydroxyethylamino)-1H-1,3,5-triazine-2,4-dione has a molecular weight of 172.14 g/mol, XLogP of -2.14, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethylamino)-1H-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 71392003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).