4,5-dichloro-2-propylpyridazin-3-one

C7H8Cl2N2O — CID 10655922

IUPAC4,5-dichloro-2-propylpyridazin-3-one
SMILESCCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H8Cl2N2O/c1-2-3-11-7(12)6(9)5(8)4-10-11/h4H,2-3H2,1H3
InChIKeyNVUOGFPKKSAHIM-UHFFFAOYSA-N
MW207.06 g/mol
LogP1.96
Rot. Bonds2

About 4,5-dichloro-2-propylpyridazin-3-one

4,5-dichloro-2-propylpyridazin-3-one (PubChem CID 10655922) has the molecular formula C7H8Cl2N2O and a molecular weight of 207.06 g/mol. Its IUPAC name is 4,5-dichloro-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-propylpyridazin-3-one
PubChem CID10655922
Molecular FormulaC7H8Cl2N2O
Molecular Weight207.06 g/mol
Exact Mass206.00
IUPAC Name4,5-dichloro-2-propylpyridazin-3-one
SMILESCCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H8Cl2N2O/c1-2-3-11-7(12)6(9)5(8)4-10-11/h4H,2-3H2,1H3
InChIKeyNVUOGFPKKSAHIM-UHFFFAOYSA-N
XLogP1.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-propylpyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-propylpyridazin-3-one (CID 10655922) is 4,5-dichloro-2-propylpyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-propylpyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-propylpyridazin-3-one is CCCn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-propylpyridazin-3-one?
The InChIKey is NVUOGFPKKSAHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O/c1-2-3-11-7(12)6(9)5(8)4-10-11/h4H,2-3H2,1H3.
What are the key properties of 4,5-dichloro-2-propylpyridazin-3-one?
4,5-dichloro-2-propylpyridazin-3-one has a molecular weight of 207.06 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-propylpyridazin-3-one is sourced from PubChem (CID 10655922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).