5-hydroxy-2-phenyldiazenyl-1H-pyrimidin-6-one

C10H8N4O2 — CID 136636247

IUPAC5-hydroxy-2-phenyldiazenyl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(/N=N/c2ccccc2)ncc1O
InChIInChI=1S/C10H8N4O2/c15-8-6-11-10(12-9(8)16)14-13-7-4-2-1-3-5-7/h1-6,15H,(H,11,12,16)/b14-13+
InChIKeyGLQJUMMSIGZJHF-BUHFOSPRSA-N
MW216.20 g/mol
LogP1.89
Rot. Bonds2

About 5-hydroxy-2-phenyldiazenyl-1H-pyrimidin-6-one

5-hydroxy-2-phenyldiazenyl-1H-pyrimidin-6-one (PubChem CID 136636247) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is 5-hydroxy-2-phenyldiazenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-hydroxy-2-phenyldiazenyl-1H-pyrimidin-6-one
PubChem CID136636247
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Name5-hydroxy-2-phenyldiazenyl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(/N=N/c2ccccc2)ncc1O
InChIInChI=1S/C10H8N4O2/c15-8-6-11-10(12-9(8)16)14-13-7-4-2-1-3-5-7/h1-6,15H,(H,11,12,16)/b14-13+
InChIKeyGLQJUMMSIGZJHF-BUHFOSPRSA-N
XLogP1.89
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-phenyldiazenyl-1H-pyrimidin-6-one?
The IUPAC name of 5-hydroxy-2-phenyldiazenyl-1H-pyrimidin-6-one (CID 136636247) is 5-hydroxy-2-phenyldiazenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-hydroxy-2-phenyldiazenyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-hydroxy-2-phenyldiazenyl-1H-pyrimidin-6-one is O=c1[nH]c(/N=N/c2ccccc2)ncc1O.
What is the InChIKey of 5-hydroxy-2-phenyldiazenyl-1H-pyrimidin-6-one?
The InChIKey is GLQJUMMSIGZJHF-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H8N4O2/c15-8-6-11-10(12-9(8)16)14-13-7-4-2-1-3-5-7/h1-6,15H,(H,11,12,16)/b14-13+.
What are the key properties of 5-hydroxy-2-phenyldiazenyl-1H-pyrimidin-6-one?
5-hydroxy-2-phenyldiazenyl-1H-pyrimidin-6-one has a molecular weight of 216.20 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-phenyldiazenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136636247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).