5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)pyridazin-3-amine

C17H23N5 — CID 58227400

IUPAC5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)pyridazin-3-amine
SMILESCN[C@@H]1CCN(c2cnnc(NCCc3ccccc3)c2)C1
InChIInChI=1S/C17H23N5/c1-18-15-8-10-22(13-15)16-11-17(21-20-12-16)19-9-7-14-5-3-2-4-6-14/h2-6,11-12,15,18H,7-10,13H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyOQFQXILBUZIEGF-OAHLLOKOSA-N
MW297.41 g/mol
LogP1.93
Rot. Bonds6

About 5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)pyridazin-3-amine

5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)pyridazin-3-amine (PubChem CID 58227400) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)pyridazin-3-amine.

Molecular Properties

Compound Name5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)pyridazin-3-amine
PubChem CID58227400
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)pyridazin-3-amine
SMILESCN[C@@H]1CCN(c2cnnc(NCCc3ccccc3)c2)C1
InChIInChI=1S/C17H23N5/c1-18-15-8-10-22(13-15)16-11-17(21-20-12-16)19-9-7-14-5-3-2-4-6-14/h2-6,11-12,15,18H,7-10,13H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyOQFQXILBUZIEGF-OAHLLOKOSA-N
XLogP1.93
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)pyridazin-3-amine?
The IUPAC name of 5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)pyridazin-3-amine (CID 58227400) is 5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)pyridazin-3-amine.
What is the SMILES notation for 5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)pyridazin-3-amine?
The canonical SMILES for 5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)pyridazin-3-amine is CN[C@@H]1CCN(c2cnnc(NCCc3ccccc3)c2)C1.
What is the InChIKey of 5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)pyridazin-3-amine?
The InChIKey is OQFQXILBUZIEGF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N5/c1-18-15-8-10-22(13-15)16-11-17(21-20-12-16)19-9-7-14-5-3-2-4-6-14/h2-6,11-12,15,18H,7-10,13H2,1H3,(H,19,21)/t15-/m1/s1.
What are the key properties of 5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)pyridazin-3-amine?
5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)pyridazin-3-amine has a molecular weight of 297.41 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)pyridazin-3-amine is sourced from PubChem (CID 58227400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).