N-[(4-aminophenyl)methyl]pyridazin-3-amine

C11H12N4 — CID 62482247

IUPACN-[(4-aminophenyl)methyl]pyridazin-3-amine
SMILESNc1ccc(CNc2cccnn2)cc1
InChIInChI=1S/C11H12N4/c12-10-5-3-9(4-6-10)8-13-11-2-1-7-14-15-11/h1-7H,8,12H2,(H,13,15)
InChIKeyYPIADXYINQKFME-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.67
Rot. Bonds3

About N-[(4-aminophenyl)methyl]pyridazin-3-amine

N-[(4-aminophenyl)methyl]pyridazin-3-amine (PubChem CID 62482247) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]pyridazin-3-amine
PubChem CID62482247
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC NameN-[(4-aminophenyl)methyl]pyridazin-3-amine
SMILESNc1ccc(CNc2cccnn2)cc1
InChIInChI=1S/C11H12N4/c12-10-5-3-9(4-6-10)8-13-11-2-1-7-14-15-11/h1-7H,8,12H2,(H,13,15)
InChIKeyYPIADXYINQKFME-UHFFFAOYSA-N
XLogP1.67
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[(4-aminophenyl)methyl]pyridazin-3-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]pyridazin-3-amine (CID 62482247) is N-[(4-aminophenyl)methyl]pyridazin-3-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]pyridazin-3-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]pyridazin-3-amine is Nc1ccc(CNc2cccnn2)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]pyridazin-3-amine?
The InChIKey is YPIADXYINQKFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c12-10-5-3-9(4-6-10)8-13-11-2-1-7-14-15-11/h1-7H,8,12H2,(H,13,15).
What are the key properties of N-[(4-aminophenyl)methyl]pyridazin-3-amine?
N-[(4-aminophenyl)methyl]pyridazin-3-amine has a molecular weight of 200.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]pyridazin-3-amine is sourced from PubChem (CID 62482247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).