5-nitroso-1H-pyrimidin-6-one

C4H3N3O2 — CID 90771021

IUPAC5-nitroso-1H-pyrimidin-6-one
SMILESO=Nc1cnc[nH]c1=O
InChIInChI=1S/C4H3N3O2/c8-4-3(7-9)1-5-2-6-4/h1-2H,(H,5,6,8)
InChIKeyOYWYBLPJSSZGGJ-UHFFFAOYSA-N
MW125.09 g/mol
LogP0.17
Rot. Bonds1

About 5-nitroso-1H-pyrimidin-6-one

5-nitroso-1H-pyrimidin-6-one (PubChem CID 90771021) has the molecular formula C4H3N3O2 and a molecular weight of 125.09 g/mol. Its IUPAC name is 5-nitroso-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-nitroso-1H-pyrimidin-6-one
PubChem CID90771021
Molecular FormulaC4H3N3O2
Molecular Weight125.09 g/mol
Exact Mass125.02
IUPAC Name5-nitroso-1H-pyrimidin-6-one
SMILESO=Nc1cnc[nH]c1=O
InChIInChI=1S/C4H3N3O2/c8-4-3(7-9)1-5-2-6-4/h1-2H,(H,5,6,8)
InChIKeyOYWYBLPJSSZGGJ-UHFFFAOYSA-N
XLogP0.17
TPSA75.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.09
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-nitroso-1H-pyrimidin-6-one?
The IUPAC name of 5-nitroso-1H-pyrimidin-6-one (CID 90771021) is 5-nitroso-1H-pyrimidin-6-one.
What is the SMILES notation for 5-nitroso-1H-pyrimidin-6-one?
The canonical SMILES for 5-nitroso-1H-pyrimidin-6-one is O=Nc1cnc[nH]c1=O.
What is the InChIKey of 5-nitroso-1H-pyrimidin-6-one?
The InChIKey is OYWYBLPJSSZGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N3O2/c8-4-3(7-9)1-5-2-6-4/h1-2H,(H,5,6,8).
What are the key properties of 5-nitroso-1H-pyrimidin-6-one?
5-nitroso-1H-pyrimidin-6-one has a molecular weight of 125.09 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitroso-1H-pyrimidin-6-one is sourced from PubChem (CID 90771021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).