3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine

C19H25Cl2N5 — CID 59442788

IUPAC3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CCN(c2ccc(-c3ccc(Cl)c(Cl)c3)nn2)CC1
InChIInChI=1S/C19H25Cl2N5/c1-24(2)8-3-9-25-10-12-26(13-11-25)19-7-6-18(22-23-19)15-4-5-16(20)17(21)14-15/h4-7,14H,3,8-13H2,1-2H3
InChIKeyDRSXSYOEXSYYCT-UHFFFAOYSA-N
MW394.35 g/mol
LogP3.52
Rot. Bonds6

About 3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine

3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 59442788) has the molecular formula C19H25Cl2N5 and a molecular weight of 394.35 g/mol. Its IUPAC name is 3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID59442788
Molecular FormulaC19H25Cl2N5
Molecular Weight394.35 g/mol
Exact Mass393.15
IUPAC Name3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CCN(c2ccc(-c3ccc(Cl)c(Cl)c3)nn2)CC1
InChIInChI=1S/C19H25Cl2N5/c1-24(2)8-3-9-25-10-12-26(13-11-25)19-7-6-18(22-23-19)15-4-5-16(20)17(21)14-15/h4-7,14H,3,8-13H2,1-2H3
InChIKeyDRSXSYOEXSYYCT-UHFFFAOYSA-N
XLogP3.52
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine (CID 59442788) is 3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCN1CCN(c2ccc(-c3ccc(Cl)c(Cl)c3)nn2)CC1.
What is the InChIKey of 3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is DRSXSYOEXSYYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N5/c1-24(2)8-3-9-25-10-12-26(13-11-25)19-7-6-18(22-23-19)15-4-5-16(20)17(21)14-15/h4-7,14H,3,8-13H2,1-2H3.
What are the key properties of 3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine?
3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 394.35 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 59442788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).