4,5-dichloro-2-methylpyridazin-3-one;hydrochloride

C5H5Cl3N2O — CID 121472658

IUPAC4,5-dichloro-2-methylpyridazin-3-one;hydrochloride
SMILESCl.Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C5H4Cl2N2O.ClH/c1-9-5(10)4(7)3(6)2-8-9;/h2H,1H3;1H
InChIKeyJXVJWHCFQXOOJC-UHFFFAOYSA-N
MW215.47 g/mol
LogP1.51
Rot. Bonds

About 4,5-dichloro-2-methylpyridazin-3-one;hydrochloride

4,5-dichloro-2-methylpyridazin-3-one;hydrochloride (PubChem CID 121472658) has the molecular formula C5H5Cl3N2O and a molecular weight of 215.47 g/mol. Its IUPAC name is 4,5-dichloro-2-methylpyridazin-3-one;hydrochloride.

Molecular Properties

Compound Name4,5-dichloro-2-methylpyridazin-3-one;hydrochloride
PubChem CID121472658
Molecular FormulaC5H5Cl3N2O
Molecular Weight215.47 g/mol
Exact Mass213.95
IUPAC Name4,5-dichloro-2-methylpyridazin-3-one;hydrochloride
SMILESCl.Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C5H4Cl2N2O.ClH/c1-9-5(10)4(7)3(6)2-8-9;/h2H,1H3;1H
InChIKeyJXVJWHCFQXOOJC-UHFFFAOYSA-N
XLogP1.51
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.47
LogP ≤ 51.51
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-methylpyridazin-3-one;hydrochloride?
The IUPAC name of 4,5-dichloro-2-methylpyridazin-3-one;hydrochloride (CID 121472658) is 4,5-dichloro-2-methylpyridazin-3-one;hydrochloride.
What is the SMILES notation for 4,5-dichloro-2-methylpyridazin-3-one;hydrochloride?
The canonical SMILES for 4,5-dichloro-2-methylpyridazin-3-one;hydrochloride is Cl.Cn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-methylpyridazin-3-one;hydrochloride?
The InChIKey is JXVJWHCFQXOOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N2O.ClH/c1-9-5(10)4(7)3(6)2-8-9;/h2H,1H3;1H.
What are the key properties of 4,5-dichloro-2-methylpyridazin-3-one;hydrochloride?
4,5-dichloro-2-methylpyridazin-3-one;hydrochloride has a molecular weight of 215.47 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-methylpyridazin-3-one;hydrochloride is sourced from PubChem (CID 121472658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).