3-[(4-aminophenyl)methyl-cyclopropylamino]pyridazine-4-carbonitrile

C15H15N5 — CID 80516550

IUPAC3-[(4-aminophenyl)methyl-cyclopropylamino]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1N(Cc1ccc(N)cc1)C1CC1
InChIInChI=1S/C15H15N5/c16-9-12-7-8-18-19-15(12)20(14-5-6-14)10-11-1-3-13(17)4-2-11/h1-4,7-8,14H,5-6,10,17H2
InChIKeyOQDFEXOLUCVOII-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.10
Rot. Bonds4

About 3-[(4-aminophenyl)methyl-cyclopropylamino]pyridazine-4-carbonitrile

3-[(4-aminophenyl)methyl-cyclopropylamino]pyridazine-4-carbonitrile (PubChem CID 80516550) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-[(4-aminophenyl)methyl-cyclopropylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(4-aminophenyl)methyl-cyclopropylamino]pyridazine-4-carbonitrile
PubChem CID80516550
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name3-[(4-aminophenyl)methyl-cyclopropylamino]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1N(Cc1ccc(N)cc1)C1CC1
InChIInChI=1S/C15H15N5/c16-9-12-7-8-18-19-15(12)20(14-5-6-14)10-11-1-3-13(17)4-2-11/h1-4,7-8,14H,5-6,10,17H2
InChIKeyOQDFEXOLUCVOII-UHFFFAOYSA-N
XLogP2.10
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminophenyl)methyl-cyclopropylamino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[(4-aminophenyl)methyl-cyclopropylamino]pyridazine-4-carbonitrile (CID 80516550) is 3-[(4-aminophenyl)methyl-cyclopropylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(4-aminophenyl)methyl-cyclopropylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[(4-aminophenyl)methyl-cyclopropylamino]pyridazine-4-carbonitrile is N#Cc1ccnnc1N(Cc1ccc(N)cc1)C1CC1.
What is the InChIKey of 3-[(4-aminophenyl)methyl-cyclopropylamino]pyridazine-4-carbonitrile?
The InChIKey is OQDFEXOLUCVOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c16-9-12-7-8-18-19-15(12)20(14-5-6-14)10-11-1-3-13(17)4-2-11/h1-4,7-8,14H,5-6,10,17H2.
What are the key properties of 3-[(4-aminophenyl)methyl-cyclopropylamino]pyridazine-4-carbonitrile?
3-[(4-aminophenyl)methyl-cyclopropylamino]pyridazine-4-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminophenyl)methyl-cyclopropylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80516550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).