4-chloro-2-methyl-5-(phosphanylmethyl)pyridazin-3-one

C6H8ClN2OP — CID 170979116

IUPAC4-chloro-2-methyl-5-(phosphanylmethyl)pyridazin-3-one
SMILESCn1ncc(CP)c(Cl)c1=O
InChIInChI=1S/C6H8ClN2OP/c1-9-6(10)5(7)4(3-11)2-8-9/h2H,3,11H2,1H3
InChIKeyKHLJYWDBGWFMRK-UHFFFAOYSA-N
MW190.57 g/mol
LogP0.81
Rot. Bonds1

About 4-chloro-2-methyl-5-(phosphanylmethyl)pyridazin-3-one

4-chloro-2-methyl-5-(phosphanylmethyl)pyridazin-3-one (PubChem CID 170979116) has the molecular formula C6H8ClN2OP and a molecular weight of 190.57 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-(phosphanylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-(phosphanylmethyl)pyridazin-3-one
PubChem CID170979116
Molecular FormulaC6H8ClN2OP
Molecular Weight190.57 g/mol
Exact Mass190.01
IUPAC Name4-chloro-2-methyl-5-(phosphanylmethyl)pyridazin-3-one
SMILESCn1ncc(CP)c(Cl)c1=O
InChIInChI=1S/C6H8ClN2OP/c1-9-6(10)5(7)4(3-11)2-8-9/h2H,3,11H2,1H3
InChIKeyKHLJYWDBGWFMRK-UHFFFAOYSA-N
XLogP0.81
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.57
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-Chloro-2,5-dimethylpyridazin-3-one
CID 59803331
4-Chloro-5-ethyl-2-methylpyridazin-3-one
CID 60031398
4-Chloro-2,5-dimethylpyridazin-3-one;ethane
CID 164902787
4-Chloro-2-methyl-5-pent-1-ynylpyridazin-3-one
CID 11458495
5-(Aminomethyl)-4-chloro-2-methylpyridazin-3-one
CID 84654776
4-Chloro-2-ethyl-5-methylpyridazin-3-one
CID 157622326

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-(phosphanylmethyl)pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-(phosphanylmethyl)pyridazin-3-one (CID 170979116) is 4-chloro-2-methyl-5-(phosphanylmethyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-(phosphanylmethyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-(phosphanylmethyl)pyridazin-3-one is Cn1ncc(CP)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-methyl-5-(phosphanylmethyl)pyridazin-3-one?
The InChIKey is KHLJYWDBGWFMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN2OP/c1-9-6(10)5(7)4(3-11)2-8-9/h2H,3,11H2,1H3.
What are the key properties of 4-chloro-2-methyl-5-(phosphanylmethyl)pyridazin-3-one?
4-chloro-2-methyl-5-(phosphanylmethyl)pyridazin-3-one has a molecular weight of 190.57 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-(phosphanylmethyl)pyridazin-3-one is sourced from PubChem (CID 170979116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).