N-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine

C20H21ClN4 — CID 6410853

IUPACN-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nnc(-c2ccc(Cl)cc2)cc1-c1ccccc1
InChIInChI=1S/C20H21ClN4/c1-25(2)13-12-22-20-18(15-6-4-3-5-7-15)14-19(23-24-20)16-8-10-17(21)11-9-16/h3-11,14H,12-13H2,1-2H3,(H,22,24)
InChIKeyMPDTZGJKYHCEKO-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.44
Rot. Bonds6

About N-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine

N-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 6410853) has the molecular formula C20H21ClN4 and a molecular weight of 352.87 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID6410853
Molecular FormulaC20H21ClN4
Molecular Weight352.87 g/mol
Exact Mass352.15
IUPAC NameN-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nnc(-c2ccc(Cl)cc2)cc1-c1ccccc1
InChIInChI=1S/C20H21ClN4/c1-25(2)13-12-22-20-18(15-6-4-3-5-7-15)14-19(23-24-20)16-8-10-17(21)11-9-16/h3-11,14H,12-13H2,1-2H3,(H,22,24)
InChIKeyMPDTZGJKYHCEKO-UHFFFAOYSA-N
XLogP4.44
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine (CID 6410853) is N-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1nnc(-c2ccc(Cl)cc2)cc1-c1ccccc1.
What is the InChIKey of N-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is MPDTZGJKYHCEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4/c1-25(2)13-12-22-20-18(15-6-4-3-5-7-15)14-19(23-24-20)16-8-10-17(21)11-9-16/h3-11,14H,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine?
N-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 352.87 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 6410853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).