6-(2,4-dichlorophenyl)-N-propylpyridazin-3-amine

C13H13Cl2N3 — CID 55138294

IUPAC6-(2,4-dichlorophenyl)-N-propylpyridazin-3-amine
SMILESCCCNc1ccc(-c2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C13H13Cl2N3/c1-2-7-16-13-6-5-12(17-18-13)10-4-3-9(14)8-11(10)15/h3-6,8H,2,7H2,1H3,(H,16,18)
InChIKeyBSANOBAHSLHPFW-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.27
Rot. Bonds4

About 6-(2,4-dichlorophenyl)-N-propylpyridazin-3-amine

6-(2,4-dichlorophenyl)-N-propylpyridazin-3-amine (PubChem CID 55138294) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is 6-(2,4-dichlorophenyl)-N-propylpyridazin-3-amine.

Molecular Properties

Compound Name6-(2,4-dichlorophenyl)-N-propylpyridazin-3-amine
PubChem CID55138294
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC Name6-(2,4-dichlorophenyl)-N-propylpyridazin-3-amine
SMILESCCCNc1ccc(-c2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C13H13Cl2N3/c1-2-7-16-13-6-5-12(17-18-13)10-4-3-9(14)8-11(10)15/h3-6,8H,2,7H2,1H3,(H,16,18)
InChIKeyBSANOBAHSLHPFW-UHFFFAOYSA-N
XLogP4.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenyl)-N-propylpyridazin-3-amine?
The IUPAC name of 6-(2,4-dichlorophenyl)-N-propylpyridazin-3-amine (CID 55138294) is 6-(2,4-dichlorophenyl)-N-propylpyridazin-3-amine.
What is the SMILES notation for 6-(2,4-dichlorophenyl)-N-propylpyridazin-3-amine?
The canonical SMILES for 6-(2,4-dichlorophenyl)-N-propylpyridazin-3-amine is CCCNc1ccc(-c2ccc(Cl)cc2Cl)nn1.
What is the InChIKey of 6-(2,4-dichlorophenyl)-N-propylpyridazin-3-amine?
The InChIKey is BSANOBAHSLHPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-2-7-16-13-6-5-12(17-18-13)10-4-3-9(14)8-11(10)15/h3-6,8H,2,7H2,1H3,(H,16,18).
What are the key properties of 6-(2,4-dichlorophenyl)-N-propylpyridazin-3-amine?
6-(2,4-dichlorophenyl)-N-propylpyridazin-3-amine has a molecular weight of 282.17 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenyl)-N-propylpyridazin-3-amine is sourced from PubChem (CID 55138294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).