4,5-dichloro-2-pyrimidin-4-ylpyridazin-3-one

C8H4Cl2N4O — CID 79823096

IUPAC4,5-dichloro-2-pyrimidin-4-ylpyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccncn1
InChIInChI=1S/C8H4Cl2N4O/c9-5-3-13-14(8(15)7(5)10)6-1-2-11-4-12-6/h1-4H
InChIKeyRMRDKRKJYBKKRO-UHFFFAOYSA-N
MW243.05 g/mol
LogP1.33
Rot. Bonds1

About 4,5-dichloro-2-pyrimidin-4-ylpyridazin-3-one

4,5-dichloro-2-pyrimidin-4-ylpyridazin-3-one (PubChem CID 79823096) has the molecular formula C8H4Cl2N4O and a molecular weight of 243.05 g/mol. Its IUPAC name is 4,5-dichloro-2-pyrimidin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-pyrimidin-4-ylpyridazin-3-one
PubChem CID79823096
Molecular FormulaC8H4Cl2N4O
Molecular Weight243.05 g/mol
Exact Mass241.98
IUPAC Name4,5-dichloro-2-pyrimidin-4-ylpyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccncn1
InChIInChI=1S/C8H4Cl2N4O/c9-5-3-13-14(8(15)7(5)10)6-1-2-11-4-12-6/h1-4H
InChIKeyRMRDKRKJYBKKRO-UHFFFAOYSA-N
XLogP1.33
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.05
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-pyrimidin-4-ylpyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-pyrimidin-4-ylpyridazin-3-one (CID 79823096) is 4,5-dichloro-2-pyrimidin-4-ylpyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-pyrimidin-4-ylpyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-pyrimidin-4-ylpyridazin-3-one is O=c1c(Cl)c(Cl)cnn1-c1ccncn1.
What is the InChIKey of 4,5-dichloro-2-pyrimidin-4-ylpyridazin-3-one?
The InChIKey is RMRDKRKJYBKKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N4O/c9-5-3-13-14(8(15)7(5)10)6-1-2-11-4-12-6/h1-4H.
What are the key properties of 4,5-dichloro-2-pyrimidin-4-ylpyridazin-3-one?
4,5-dichloro-2-pyrimidin-4-ylpyridazin-3-one has a molecular weight of 243.05 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-pyrimidin-4-ylpyridazin-3-one is sourced from PubChem (CID 79823096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).