N-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-amine

C25H23N3O2 — CID 18760036

IUPACN-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-amine
SMILESCOc1ccc(-c2cc(NCc3ccccc3)nnc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H23N3O2/c1-29-21-12-8-19(9-13-21)23-16-24(26-17-18-6-4-3-5-7-18)27-28-25(23)20-10-14-22(30-2)15-11-20/h3-16H,17H2,1-2H3,(H,26,27)
InChIKeyKCYRAZQCPBFESI-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.44
Rot. Bonds7

About N-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-amine

N-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-amine (PubChem CID 18760036) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-amine
PubChem CID18760036
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-amine
SMILESCOc1ccc(-c2cc(NCc3ccccc3)nnc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H23N3O2/c1-29-21-12-8-19(9-13-21)23-16-24(26-17-18-6-4-3-5-7-18)27-28-25(23)20-10-14-22(30-2)15-11-20/h3-16H,17H2,1-2H3,(H,26,27)
InChIKeyKCYRAZQCPBFESI-UHFFFAOYSA-N
XLogP5.44
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-amine?
The IUPAC name of N-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-amine (CID 18760036) is N-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-amine.
What is the SMILES notation for N-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-amine?
The canonical SMILES for N-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-amine is COc1ccc(-c2cc(NCc3ccccc3)nnc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-amine?
The InChIKey is KCYRAZQCPBFESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-29-21-12-8-19(9-13-21)23-16-24(26-17-18-6-4-3-5-7-18)27-28-25(23)20-10-14-22(30-2)15-11-20/h3-16H,17H2,1-2H3,(H,26,27).
What are the key properties of N-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-amine?
N-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-amine has a molecular weight of 397.48 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-amine is sourced from PubChem (CID 18760036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).