5-chloro-4-[2-(3-methylphenoxy)butylamino]-1H-pyridazin-6-one

C15H18ClN3O2 — CID 133335669

IUPAC5-chloro-4-[2-(3-methylphenoxy)butylamino]-1H-pyridazin-6-one
SMILESCCC(CNc1cn[nH]c(=O)c1Cl)Oc1cccc(C)c1
InChIInChI=1S/C15H18ClN3O2/c1-3-11(21-12-6-4-5-10(2)7-12)8-17-13-9-18-19-15(20)14(13)16/h4-7,9,11H,3,8H2,1-2H3,(H2,17,19,20)
InChIKeyZTXNSGPCMYIXSC-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.00
Rot. Bonds6

About 5-chloro-4-[2-(3-methylphenoxy)butylamino]-1H-pyridazin-6-one

5-chloro-4-[2-(3-methylphenoxy)butylamino]-1H-pyridazin-6-one (PubChem CID 133335669) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 5-chloro-4-[2-(3-methylphenoxy)butylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-(3-methylphenoxy)butylamino]-1H-pyridazin-6-one
PubChem CID133335669
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name5-chloro-4-[2-(3-methylphenoxy)butylamino]-1H-pyridazin-6-one
SMILESCCC(CNc1cn[nH]c(=O)c1Cl)Oc1cccc(C)c1
InChIInChI=1S/C15H18ClN3O2/c1-3-11(21-12-6-4-5-10(2)7-12)8-17-13-9-18-19-15(20)14(13)16/h4-7,9,11H,3,8H2,1-2H3,(H2,17,19,20)
InChIKeyZTXNSGPCMYIXSC-UHFFFAOYSA-N
XLogP3.00
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-(3-methylphenoxy)butylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[2-(3-methylphenoxy)butylamino]-1H-pyridazin-6-one (CID 133335669) is 5-chloro-4-[2-(3-methylphenoxy)butylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[2-(3-methylphenoxy)butylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[2-(3-methylphenoxy)butylamino]-1H-pyridazin-6-one is CCC(CNc1cn[nH]c(=O)c1Cl)Oc1cccc(C)c1.
What is the InChIKey of 5-chloro-4-[2-(3-methylphenoxy)butylamino]-1H-pyridazin-6-one?
The InChIKey is ZTXNSGPCMYIXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-3-11(21-12-6-4-5-10(2)7-12)8-17-13-9-18-19-15(20)14(13)16/h4-7,9,11H,3,8H2,1-2H3,(H2,17,19,20).
What are the key properties of 5-chloro-4-[2-(3-methylphenoxy)butylamino]-1H-pyridazin-6-one?
5-chloro-4-[2-(3-methylphenoxy)butylamino]-1H-pyridazin-6-one has a molecular weight of 307.78 g/mol, XLogP of 3.00, 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-(3-methylphenoxy)butylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 133335669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).