4-benzyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine

C23H26N4O — CID 6410813

IUPAC4-benzyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine
SMILESc1ccc(Cc2cc(-c3ccccc3)nnc2NCCN2CCOCC2)cc1
InChIInChI=1S/C23H26N4O/c1-3-7-19(8-4-1)17-21-18-22(20-9-5-2-6-10-20)25-26-23(21)24-11-12-27-13-15-28-16-14-27/h1-10,18H,11-17H2,(H,24,26)
InChIKeyKPSXDGNFHFHNQT-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.48
Rot. Bonds7

About 4-benzyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine

4-benzyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine (PubChem CID 6410813) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-benzyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine.

Molecular Properties

Compound Name4-benzyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine
PubChem CID6410813
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name4-benzyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine
SMILESc1ccc(Cc2cc(-c3ccccc3)nnc2NCCN2CCOCC2)cc1
InChIInChI=1S/C23H26N4O/c1-3-7-19(8-4-1)17-21-18-22(20-9-5-2-6-10-20)25-26-23(21)24-11-12-27-13-15-28-16-14-27/h1-10,18H,11-17H2,(H,24,26)
InChIKeyKPSXDGNFHFHNQT-UHFFFAOYSA-N
XLogP3.48
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine?
The IUPAC name of 4-benzyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine (CID 6410813) is 4-benzyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine.
What is the SMILES notation for 4-benzyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine?
The canonical SMILES for 4-benzyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine is c1ccc(Cc2cc(-c3ccccc3)nnc2NCCN2CCOCC2)cc1.
What is the InChIKey of 4-benzyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine?
The InChIKey is KPSXDGNFHFHNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-3-7-19(8-4-1)17-21-18-22(20-9-5-2-6-10-20)25-26-23(21)24-11-12-27-13-15-28-16-14-27/h1-10,18H,11-17H2,(H,24,26).
What are the key properties of 4-benzyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine?
4-benzyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine has a molecular weight of 374.49 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine is sourced from PubChem (CID 6410813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).