6-(3,4-dihydroxyphenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one

C9H9N5O3 — CID 135609593

IUPAC6-(3,4-dihydroxyphenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one
SMILESNNc1nc(-c2ccc(O)c(O)c2)[nH]c(=O)n1
InChIInChI=1S/C9H9N5O3/c10-14-8-11-7(12-9(17)13-8)4-1-2-5(15)6(16)3-4/h1-3,15-16H,10H2,(H2,11,12,13,14,17)
InChIKeyOYBWRKXVAAQVJG-UHFFFAOYSA-N
MW235.20 g/mol
LogP-0.47
Rot. Bonds2

About 6-(3,4-dihydroxyphenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one

6-(3,4-dihydroxyphenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one (PubChem CID 135609593) has the molecular formula C9H9N5O3 and a molecular weight of 235.20 g/mol. Its IUPAC name is 6-(3,4-dihydroxyphenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-(3,4-dihydroxyphenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one
PubChem CID135609593
Molecular FormulaC9H9N5O3
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC Name6-(3,4-dihydroxyphenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one
SMILESNNc1nc(-c2ccc(O)c(O)c2)[nH]c(=O)n1
InChIInChI=1S/C9H9N5O3/c10-14-8-11-7(12-9(17)13-8)4-1-2-5(15)6(16)3-4/h1-3,15-16H,10H2,(H2,11,12,13,14,17)
InChIKeyOYBWRKXVAAQVJG-UHFFFAOYSA-N
XLogP-0.47
TPSA137.15 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 5-0.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydroxyphenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-(3,4-dihydroxyphenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one (CID 135609593) is 6-(3,4-dihydroxyphenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-(3,4-dihydroxyphenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-(3,4-dihydroxyphenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one is NNc1nc(-c2ccc(O)c(O)c2)[nH]c(=O)n1.
What is the InChIKey of 6-(3,4-dihydroxyphenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one?
The InChIKey is OYBWRKXVAAQVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3/c10-14-8-11-7(12-9(17)13-8)4-1-2-5(15)6(16)3-4/h1-3,15-16H,10H2,(H2,11,12,13,14,17).
What are the key properties of 6-(3,4-dihydroxyphenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one?
6-(3,4-dihydroxyphenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one has a molecular weight of 235.20 g/mol, XLogP of -0.47, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydroxyphenyl)-4-hydrazinyl-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 135609593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).