3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carbonitrile

C15H14N4 — CID 80509809

IUPAC3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1N1CCC(c2ccccc2)C1
InChIInChI=1S/C15H14N4/c16-10-13-6-8-17-18-15(13)19-9-7-14(11-19)12-4-2-1-3-5-12/h1-6,8,14H,7,9,11H2
InChIKeyXFJQFQWUVXQELH-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.34
Rot. Bonds2

About 3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carbonitrile

3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carbonitrile (PubChem CID 80509809) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carbonitrile
PubChem CID80509809
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1N1CCC(c2ccccc2)C1
InChIInChI=1S/C15H14N4/c16-10-13-6-8-17-18-15(13)19-9-7-14(11-19)12-4-2-1-3-5-12/h1-6,8,14H,7,9,11H2
InChIKeyXFJQFQWUVXQELH-UHFFFAOYSA-N
XLogP2.34
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carbonitrile?
The IUPAC name of 3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carbonitrile (CID 80509809) is 3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carbonitrile is N#Cc1ccnnc1N1CCC(c2ccccc2)C1.
What is the InChIKey of 3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carbonitrile?
The InChIKey is XFJQFQWUVXQELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-10-13-6-8-17-18-15(13)19-9-7-14(11-19)12-4-2-1-3-5-12/h1-6,8,14H,7,9,11H2.
What are the key properties of 3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carbonitrile?
3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carbonitrile has a molecular weight of 250.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carbonitrile is sourced from PubChem (CID 80509809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).