5-chloro-4-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-1H-pyridazin-6-one

C14H15Cl2N3O2 — CID 133380806

IUPAC5-chloro-4-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-1H-pyridazin-6-one
SMILESCOCCC(Nc1cn[nH]c(=O)c1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H15Cl2N3O2/c1-21-7-6-11(9-2-4-10(15)5-3-9)18-12-8-17-19-14(20)13(12)16/h2-5,8,11H,6-7H2,1H3,(H2,18,19,20)
InChIKeyYKUSTERKAKAUEI-UHFFFAOYSA-N
MW328.20 g/mol
LogP3.27
Rot. Bonds6

About 5-chloro-4-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-1H-pyridazin-6-one

5-chloro-4-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-1H-pyridazin-6-one (PubChem CID 133380806) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 5-chloro-4-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-1H-pyridazin-6-one
PubChem CID133380806
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC Name5-chloro-4-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-1H-pyridazin-6-one
SMILESCOCCC(Nc1cn[nH]c(=O)c1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H15Cl2N3O2/c1-21-7-6-11(9-2-4-10(15)5-3-9)18-12-8-17-19-14(20)13(12)16/h2-5,8,11H,6-7H2,1H3,(H2,18,19,20)
InChIKeyYKUSTERKAKAUEI-UHFFFAOYSA-N
XLogP3.27
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-1H-pyridazin-6-one (CID 133380806) is 5-chloro-4-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-1H-pyridazin-6-one is COCCC(Nc1cn[nH]c(=O)c1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-4-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-1H-pyridazin-6-one?
The InChIKey is YKUSTERKAKAUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c1-21-7-6-11(9-2-4-10(15)5-3-9)18-12-8-17-19-14(20)13(12)16/h2-5,8,11H,6-7H2,1H3,(H2,18,19,20).
What are the key properties of 5-chloro-4-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-1H-pyridazin-6-one?
5-chloro-4-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-1H-pyridazin-6-one has a molecular weight of 328.20 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-1H-pyridazin-6-one is sourced from PubChem (CID 133380806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).