4-chloro-5-(3-chloropropoxy)-2-propylpyridazin-3-one

C10H14Cl2N2O2 — CID 152778765

IUPAC4-chloro-5-(3-chloropropoxy)-2-propylpyridazin-3-one
SMILESCCCn1ncc(OCCCCl)c(Cl)c1=O
InChIInChI=1S/C10H14Cl2N2O2/c1-2-5-14-10(15)9(12)8(7-13-14)16-6-3-4-11/h7H,2-6H2,1H3
InChIKeyLQNBSNHBTYKVBZ-UHFFFAOYSA-N
MW265.14 g/mol
LogP2.31
Rot. Bonds6

About 4-chloro-5-(3-chloropropoxy)-2-propylpyridazin-3-one

4-chloro-5-(3-chloropropoxy)-2-propylpyridazin-3-one (PubChem CID 152778765) has the molecular formula C10H14Cl2N2O2 and a molecular weight of 265.14 g/mol. Its IUPAC name is 4-chloro-5-(3-chloropropoxy)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(3-chloropropoxy)-2-propylpyridazin-3-one
PubChem CID152778765
Molecular FormulaC10H14Cl2N2O2
Molecular Weight265.14 g/mol
Exact Mass264.04
IUPAC Name4-chloro-5-(3-chloropropoxy)-2-propylpyridazin-3-one
SMILESCCCn1ncc(OCCCCl)c(Cl)c1=O
InChIInChI=1S/C10H14Cl2N2O2/c1-2-5-14-10(15)9(12)8(7-13-14)16-6-3-4-11/h7H,2-6H2,1H3
InChIKeyLQNBSNHBTYKVBZ-UHFFFAOYSA-N
XLogP2.31
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-methoxy-2-propyl-3(2H)-pyridazinone
CID 2223565
4-chloro-5-ethoxy-2-methyl-2H-pyridazin-3-one
CID 1488767
4-Chloro-2-isopropyl-5-methoxy-2H-pyridazin-3-one
CID 10845807
2-Tert-butyl-4-chloro-5-ethoxypyridazin-3-one
CID 3690282
4-chloro-2-ethyl-5-methoxypyridazin-3(2H)-one
CID 10655246
4-Chloro-5-(3-chloropropyloxy)-2-t-butyl-3(2H) pyridazinone
CID 13987834
4-Chloro-5-(3-chloropropoxy)-2-propan-2-ylpyridazin-3-one
CID 13987835
4-Chloro-5-(3-chloropropoxy)-2-ethylpyridazin-3-one
CID 13987836
4-chloro-5-(2-chloroethyloxy)-2-i-propyl-3(2H)pyridazinone
CID 13987837
4-Chloro-5-ethoxy-2-ethylpyridazin-3(2H)-one
CID 16046694
4-chloro-2-(2-methoxy-ethyl)-5-methoxy-2H-pyridazin-3-one
CID 66865809
4-Chloro-5-(2-chloroethoxy)-2-propylpyridazin-3-one
CID 154508173

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3-chloropropoxy)-2-propylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(3-chloropropoxy)-2-propylpyridazin-3-one (CID 152778765) is 4-chloro-5-(3-chloropropoxy)-2-propylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(3-chloropropoxy)-2-propylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(3-chloropropoxy)-2-propylpyridazin-3-one is CCCn1ncc(OCCCCl)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(3-chloropropoxy)-2-propylpyridazin-3-one?
The InChIKey is LQNBSNHBTYKVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2/c1-2-5-14-10(15)9(12)8(7-13-14)16-6-3-4-11/h7H,2-6H2,1H3.
What are the key properties of 4-chloro-5-(3-chloropropoxy)-2-propylpyridazin-3-one?
4-chloro-5-(3-chloropropoxy)-2-propylpyridazin-3-one has a molecular weight of 265.14 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3-chloropropoxy)-2-propylpyridazin-3-one is sourced from PubChem (CID 152778765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).