5,6-dihydroxy-1,2,4-triazinan-3-one

C3H7N3O3 — CID 55286131

IUPAC5,6-dihydroxy-1,2,4-triazinan-3-one
SMILESO=C1NNC(O)C(O)N1
InChIInChI=1S/C3H7N3O3/c7-1-2(8)5-6-3(9)4-1/h1-2,5,7-8H,(H2,4,6,9)
InChIKeyCOPGWJXOTOBKRB-UHFFFAOYSA-N
MW133.11 g/mol
LogP-2.56
Rot. Bonds

About 5,6-dihydroxy-1,2,4-triazinan-3-one

5,6-dihydroxy-1,2,4-triazinan-3-one (PubChem CID 55286131) has the molecular formula C3H7N3O3 and a molecular weight of 133.11 g/mol. Its IUPAC name is 5,6-dihydroxy-1,2,4-triazinan-3-one.

Molecular Properties

Compound Name5,6-dihydroxy-1,2,4-triazinan-3-one
PubChem CID55286131
Molecular FormulaC3H7N3O3
Molecular Weight133.11 g/mol
Exact Mass133.05
IUPAC Name5,6-dihydroxy-1,2,4-triazinan-3-one
SMILESO=C1NNC(O)C(O)N1
InChIInChI=1S/C3H7N3O3/c7-1-2(8)5-6-3(9)4-1/h1-2,5,7-8H,(H2,4,6,9)
InChIKeyCOPGWJXOTOBKRB-UHFFFAOYSA-N
XLogP-2.56
TPSA93.62 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.11
LogP ≤ 5-2.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroxy-1,2,4-triazinan-3-one?
The IUPAC name of 5,6-dihydroxy-1,2,4-triazinan-3-one (CID 55286131) is 5,6-dihydroxy-1,2,4-triazinan-3-one.
What is the SMILES notation for 5,6-dihydroxy-1,2,4-triazinan-3-one?
The canonical SMILES for 5,6-dihydroxy-1,2,4-triazinan-3-one is O=C1NNC(O)C(O)N1.
What is the InChIKey of 5,6-dihydroxy-1,2,4-triazinan-3-one?
The InChIKey is COPGWJXOTOBKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O3/c7-1-2(8)5-6-3(9)4-1/h1-2,5,7-8H,(H2,4,6,9).
What are the key properties of 5,6-dihydroxy-1,2,4-triazinan-3-one?
5,6-dihydroxy-1,2,4-triazinan-3-one has a molecular weight of 133.11 g/mol, XLogP of -2.56, 0 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroxy-1,2,4-triazinan-3-one is sourced from PubChem (CID 55286131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).