5-chloro-4-[2-(2-chlorophenoxy)butylamino]-1H-pyridazin-6-one

C14H15Cl2N3O2 — CID 71978649

IUPAC5-chloro-4-[2-(2-chlorophenoxy)butylamino]-1H-pyridazin-6-one
SMILESCCC(CNc1cn[nH]c(=O)c1Cl)Oc1ccccc1Cl
InChIInChI=1S/C14H15Cl2N3O2/c1-2-9(21-12-6-4-3-5-10(12)15)7-17-11-8-18-19-14(20)13(11)16/h3-6,8-9H,2,7H2,1H3,(H2,17,19,20)
InChIKeyAJCNFVJUPWLNDU-UHFFFAOYSA-N
MW328.20 g/mol
LogP3.35
Rot. Bonds6

About 5-chloro-4-[2-(2-chlorophenoxy)butylamino]-1H-pyridazin-6-one

5-chloro-4-[2-(2-chlorophenoxy)butylamino]-1H-pyridazin-6-one (PubChem CID 71978649) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 5-chloro-4-[2-(2-chlorophenoxy)butylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-(2-chlorophenoxy)butylamino]-1H-pyridazin-6-one
PubChem CID71978649
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC Name5-chloro-4-[2-(2-chlorophenoxy)butylamino]-1H-pyridazin-6-one
SMILESCCC(CNc1cn[nH]c(=O)c1Cl)Oc1ccccc1Cl
InChIInChI=1S/C14H15Cl2N3O2/c1-2-9(21-12-6-4-3-5-10(12)15)7-17-11-8-18-19-14(20)13(11)16/h3-6,8-9H,2,7H2,1H3,(H2,17,19,20)
InChIKeyAJCNFVJUPWLNDU-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[2-(3-methylphenoxy)butylamino]-1H-pyridazin-6-one
CID 133335669
4-[(2-amino-2-phenylethyl)amino]-5-chloro-1H-pyridazin-6-one
CID 80747062
5-chloro-4-(2,2-difluoroethylamino)-1H-pyridazin-6-one
CID 79098505
5-chloro-4-(2,3,3-trimethylbutylamino)-1H-pyridazin-6-one
CID 78966968
3-[[(2R)-2-(2-chlorophenoxy)butyl]amino]-1-methylpyrazin-2-one
CID 96528162
5-chloro-4-(prop-2-ynylamino)-1H-pyridazin-6-one
CID 78913319
5-chloro-4-(3-phenylbutylamino)-1H-pyridazin-6-one
CID 78990669
5-chloro-4-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-1H-pyridazin-6-one
CID 41195971
5-chloro-4-[2-(2-methylpropoxy)ethylamino]-1H-pyridazin-6-one
CID 115586247
5-chloro-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyridazin-6-one
CID 78955295
(2S)-2-(2-chlorophenoxy)butan-1-amine
CID 94266424
N-[2-(2-chlorophenoxy)butyl]prop-2-enamide
CID 146089833

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-(2-chlorophenoxy)butylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[2-(2-chlorophenoxy)butylamino]-1H-pyridazin-6-one (CID 71978649) is 5-chloro-4-[2-(2-chlorophenoxy)butylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[2-(2-chlorophenoxy)butylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[2-(2-chlorophenoxy)butylamino]-1H-pyridazin-6-one is CCC(CNc1cn[nH]c(=O)c1Cl)Oc1ccccc1Cl.
What is the InChIKey of 5-chloro-4-[2-(2-chlorophenoxy)butylamino]-1H-pyridazin-6-one?
The InChIKey is AJCNFVJUPWLNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c1-2-9(21-12-6-4-3-5-10(12)15)7-17-11-8-18-19-14(20)13(11)16/h3-6,8-9H,2,7H2,1H3,(H2,17,19,20).
What are the key properties of 5-chloro-4-[2-(2-chlorophenoxy)butylamino]-1H-pyridazin-6-one?
5-chloro-4-[2-(2-chlorophenoxy)butylamino]-1H-pyridazin-6-one has a molecular weight of 328.20 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-(2-chlorophenoxy)butylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 71978649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).