6-N-benzyl-3-N-(4-chlorophenyl)pyridazine-3,6-diamine

C17H15ClN4 — CID 6414439

IUPAC6-N-benzyl-3-N-(4-chlorophenyl)pyridazine-3,6-diamine
SMILESClc1ccc(Nc2ccc(NCc3ccccc3)nn2)cc1
InChIInChI=1S/C17H15ClN4/c18-14-6-8-15(9-7-14)20-17-11-10-16(21-22-17)19-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,19,21)(H,20,22)
InChIKeyFYMQMOFILXRCEY-UHFFFAOYSA-N
MW310.79 g/mol
LogP4.49
Rot. Bonds5

About 6-N-benzyl-3-N-(4-chlorophenyl)pyridazine-3,6-diamine

6-N-benzyl-3-N-(4-chlorophenyl)pyridazine-3,6-diamine (PubChem CID 6414439) has the molecular formula C17H15ClN4 and a molecular weight of 310.79 g/mol. Its IUPAC name is 6-N-benzyl-3-N-(4-chlorophenyl)pyridazine-3,6-diamine.

Molecular Properties

Compound Name6-N-benzyl-3-N-(4-chlorophenyl)pyridazine-3,6-diamine
PubChem CID6414439
Molecular FormulaC17H15ClN4
Molecular Weight310.79 g/mol
Exact Mass310.10
IUPAC Name6-N-benzyl-3-N-(4-chlorophenyl)pyridazine-3,6-diamine
SMILESClc1ccc(Nc2ccc(NCc3ccccc3)nn2)cc1
InChIInChI=1S/C17H15ClN4/c18-14-6-8-15(9-7-14)20-17-11-10-16(21-22-17)19-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,19,21)(H,20,22)
InChIKeyFYMQMOFILXRCEY-UHFFFAOYSA-N
XLogP4.49
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-chloroaniline chloride
CID 45109713
3-N-(4-methoxyphenyl)-6-N-[(4-methoxyphenyl)methyl]pyridazine-3,6-diamine
CID 101161568
6-[(4-chlorophenyl)methylamino]pyridazine-3-carboxylic acid
CID 60791679
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide
CID 113012292
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-2-fluorobenzamide
CID 113041609
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113047562
2-chloro-N-[6-(4-chloroanilino)pyridazin-3-yl]benzamide
CID 113047552
6-N-benzyl-4-N-(3,4-difluorophenyl)pyrimidine-4,6-diamine
CID 112858876
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113047565
6-[(4-chlorophenyl)methylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109119831
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113047599
6-(4-chloroanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121155

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-3-N-(4-chlorophenyl)pyridazine-3,6-diamine?
The IUPAC name of 6-N-benzyl-3-N-(4-chlorophenyl)pyridazine-3,6-diamine (CID 6414439) is 6-N-benzyl-3-N-(4-chlorophenyl)pyridazine-3,6-diamine.
What is the SMILES notation for 6-N-benzyl-3-N-(4-chlorophenyl)pyridazine-3,6-diamine?
The canonical SMILES for 6-N-benzyl-3-N-(4-chlorophenyl)pyridazine-3,6-diamine is Clc1ccc(Nc2ccc(NCc3ccccc3)nn2)cc1.
What is the InChIKey of 6-N-benzyl-3-N-(4-chlorophenyl)pyridazine-3,6-diamine?
The InChIKey is FYMQMOFILXRCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4/c18-14-6-8-15(9-7-14)20-17-11-10-16(21-22-17)19-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,19,21)(H,20,22).
What are the key properties of 6-N-benzyl-3-N-(4-chlorophenyl)pyridazine-3,6-diamine?
6-N-benzyl-3-N-(4-chlorophenyl)pyridazine-3,6-diamine has a molecular weight of 310.79 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-3-N-(4-chlorophenyl)pyridazine-3,6-diamine is sourced from PubChem (CID 6414439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).