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

C17H23N5 — CID 58227371

IUPAC5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]pyridazin-3-amine
SMILESCN[C@@H]1CCN(c2cnnc(N[C@H](C)c3ccccc3)c2)C1
InChIInChI=1S/C17H23N5/c1-13(14-6-4-3-5-7-14)20-17-10-16(11-19-21-17)22-9-8-15(12-22)18-2/h3-7,10-11,13,15,18H,8-9,12H2,1-2H3,(H,20,21)/t13-,15-/m1/s1
InChIKeyGUPYTDXUAWYPQU-UKRRQHHQSA-N
MW297.41 g/mol
LogP2.45
Rot. Bonds5

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

5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]pyridazin-3-amine (PubChem CID 58227371) 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-[(1R)-1-phenylethyl]pyridazin-3-amine.

Molecular Properties

Compound Name5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]pyridazin-3-amine
PubChem CID58227371
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]pyridazin-3-amine
SMILESCN[C@@H]1CCN(c2cnnc(N[C@H](C)c3ccccc3)c2)C1
InChIInChI=1S/C17H23N5/c1-13(14-6-4-3-5-7-14)20-17-10-16(11-19-21-17)22-9-8-15(12-22)18-2/h3-7,10-11,13,15,18H,8-9,12H2,1-2H3,(H,20,21)/t13-,15-/m1/s1
InChIKeyGUPYTDXUAWYPQU-UKRRQHHQSA-N
XLogP2.45
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.45
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-[(1R)-1-phenylethyl]pyridazin-3-amine?
The IUPAC name of 5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]pyridazin-3-amine (CID 58227371) is 5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]pyridazin-3-amine.
What is the SMILES notation for 5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]pyridazin-3-amine?
The canonical SMILES for 5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]pyridazin-3-amine is CN[C@@H]1CCN(c2cnnc(N[C@H](C)c3ccccc3)c2)C1.
What is the InChIKey of 5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]pyridazin-3-amine?
The InChIKey is GUPYTDXUAWYPQU-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H23N5/c1-13(14-6-4-3-5-7-14)20-17-10-16(11-19-21-17)22-9-8-15(12-22)18-2/h3-7,10-11,13,15,18H,8-9,12H2,1-2H3,(H,20,21)/t13-,15-/m1/s1.
What are the key properties of 5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]pyridazin-3-amine?
5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]pyridazin-3-amine has a molecular weight of 297.41 g/mol, XLogP of 2.45, 5 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-[(1R)-1-phenylethyl]pyridazin-3-amine is sourced from PubChem (CID 58227371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).