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

C21H23ClN4 — CID 6410855

IUPACN-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1nnc(-c2ccc(Cl)cc2)cc1-c1ccccc1
InChIInChI=1S/C21H23ClN4/c1-26(2)14-6-13-23-21-19(16-7-4-3-5-8-16)15-20(24-25-21)17-9-11-18(22)12-10-17/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,23,25)
InChIKeyOFLQCPASFULKPO-UHFFFAOYSA-N
MW366.90 g/mol
LogP4.83
Rot. Bonds7

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

N-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 6410855) has the molecular formula C21H23ClN4 and a molecular weight of 366.90 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID6410855
Molecular FormulaC21H23ClN4
Molecular Weight366.90 g/mol
Exact Mass366.16
IUPAC NameN-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1nnc(-c2ccc(Cl)cc2)cc1-c1ccccc1
InChIInChI=1S/C21H23ClN4/c1-26(2)14-6-13-23-21-19(16-7-4-3-5-8-16)15-20(24-25-21)17-9-11-18(22)12-10-17/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,23,25)
InChIKeyOFLQCPASFULKPO-UHFFFAOYSA-N
XLogP4.83
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.90
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 6416437
CID 6416437
CID 1069155
CID 1069155
CID 814443
CID 814443
CID 10067904
CID 10067904
CID 10713570
CID 10713570
CID 11058147
CID 11058147
CID 11825837
CID 11825837
CID 137408797
CID 137408797
CID 137408799
CID 137408799
CID 152072967
CID 152072967
CID 6412221
CID 6412221
CID 10894911
CID 10894911

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylpropane-1,3-diamine (CID 6410855) is N-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1nnc(-c2ccc(Cl)cc2)cc1-c1ccccc1.
What is the InChIKey of N-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is OFLQCPASFULKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4/c1-26(2)14-6-13-23-21-19(16-7-4-3-5-8-16)15-20(24-25-21)17-9-11-18(22)12-10-17/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylpropane-1,3-diamine?
N-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 366.90 g/mol, XLogP of 4.83, 7 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'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 6410855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).