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

C9H8N4O3 — CID 45093594

IUPAC6-(3-hydroxyanilino)-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(Nc2cccc(O)c2)[nH]c(=O)[nH]1
InChIInChI=1S/C9H8N4O3/c14-6-3-1-2-5(4-6)10-7-11-8(15)13-9(16)12-7/h1-4,14H,(H3,10,11,12,13,15,16)
InChIKeyUBGCOZUHPUFCCC-UHFFFAOYSA-N
MW220.19 g/mol
LogP-0.09
Rot. Bonds2

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

6-(3-hydroxyanilino)-1H-1,3,5-triazine-2,4-dione (PubChem CID 45093594) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is 6-(3-hydroxyanilino)-1H-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-(3-hydroxyanilino)-1H-1,3,5-triazine-2,4-dione
PubChem CID45093594
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Name6-(3-hydroxyanilino)-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(Nc2cccc(O)c2)[nH]c(=O)[nH]1
InChIInChI=1S/C9H8N4O3/c14-6-3-1-2-5(4-6)10-7-11-8(15)13-9(16)12-7/h1-4,14H,(H3,10,11,12,13,15,16)
InChIKeyUBGCOZUHPUFCCC-UHFFFAOYSA-N
XLogP-0.09
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxyanilino)-1H-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-(3-hydroxyanilino)-1H-1,3,5-triazine-2,4-dione (CID 45093594) is 6-(3-hydroxyanilino)-1H-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-(3-hydroxyanilino)-1H-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-(3-hydroxyanilino)-1H-1,3,5-triazine-2,4-dione is O=c1nc(Nc2cccc(O)c2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(3-hydroxyanilino)-1H-1,3,5-triazine-2,4-dione?
The InChIKey is UBGCOZUHPUFCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c14-6-3-1-2-5(4-6)10-7-11-8(15)13-9(16)12-7/h1-4,14H,(H3,10,11,12,13,15,16).
What are the key properties of 6-(3-hydroxyanilino)-1H-1,3,5-triazine-2,4-dione?
6-(3-hydroxyanilino)-1H-1,3,5-triazine-2,4-dione has a molecular weight of 220.19 g/mol, XLogP of -0.09, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxyanilino)-1H-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 45093594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).