5-phenyl-6-pyridin-4-yl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine

C21H23N5 — CID 59867519

IUPAC5-phenyl-6-pyridin-4-yl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine
SMILESc1ccc(-c2cc(NCCN3CCCC3)nnc2-c2ccncc2)cc1
InChIInChI=1S/C21H23N5/c1-2-6-17(7-3-1)19-16-20(23-12-15-26-13-4-5-14-26)24-25-21(19)18-8-10-22-11-9-18/h1-3,6-11,16H,4-5,12-15H2,(H,23,24)
InChIKeySTANZKDMYYUXCU-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.71
Rot. Bonds6

About 5-phenyl-6-pyridin-4-yl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine

5-phenyl-6-pyridin-4-yl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine (PubChem CID 59867519) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is 5-phenyl-6-pyridin-4-yl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine.

Molecular Properties

Compound Name5-phenyl-6-pyridin-4-yl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine
PubChem CID59867519
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name5-phenyl-6-pyridin-4-yl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine
SMILESc1ccc(-c2cc(NCCN3CCCC3)nnc2-c2ccncc2)cc1
InChIInChI=1S/C21H23N5/c1-2-6-17(7-3-1)19-16-20(23-12-15-26-13-4-5-14-26)24-25-21(19)18-8-10-22-11-9-18/h1-3,6-11,16H,4-5,12-15H2,(H,23,24)
InChIKeySTANZKDMYYUXCU-UHFFFAOYSA-N
XLogP3.71
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-6-pyridin-4-yl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine?
The IUPAC name of 5-phenyl-6-pyridin-4-yl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine (CID 59867519) is 5-phenyl-6-pyridin-4-yl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine.
What is the SMILES notation for 5-phenyl-6-pyridin-4-yl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine?
The canonical SMILES for 5-phenyl-6-pyridin-4-yl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine is c1ccc(-c2cc(NCCN3CCCC3)nnc2-c2ccncc2)cc1.
What is the InChIKey of 5-phenyl-6-pyridin-4-yl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine?
The InChIKey is STANZKDMYYUXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-2-6-17(7-3-1)19-16-20(23-12-15-26-13-4-5-14-26)24-25-21(19)18-8-10-22-11-9-18/h1-3,6-11,16H,4-5,12-15H2,(H,23,24).
What are the key properties of 5-phenyl-6-pyridin-4-yl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine?
5-phenyl-6-pyridin-4-yl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine has a molecular weight of 345.45 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-6-pyridin-4-yl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine is sourced from PubChem (CID 59867519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).