3-[(5-amino-2-hydroxyphenyl)methylamino]pyridazine-4-carbonitrile

C12H11N5O — CID 80516234

IUPAC3-[(5-amino-2-hydroxyphenyl)methylamino]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCc1cc(N)ccc1O
InChIInChI=1S/C12H11N5O/c13-6-8-3-4-16-17-12(8)15-7-9-5-10(14)1-2-11(9)18/h1-5,18H,7,14H2,(H,15,17)
InChIKeyBXMFXTWUNCNCGZ-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.25
Rot. Bonds3

About 3-[(5-amino-2-hydroxyphenyl)methylamino]pyridazine-4-carbonitrile

3-[(5-amino-2-hydroxyphenyl)methylamino]pyridazine-4-carbonitrile (PubChem CID 80516234) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-[(5-amino-2-hydroxyphenyl)methylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(5-amino-2-hydroxyphenyl)methylamino]pyridazine-4-carbonitrile
PubChem CID80516234
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name3-[(5-amino-2-hydroxyphenyl)methylamino]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCc1cc(N)ccc1O
InChIInChI=1S/C12H11N5O/c13-6-8-3-4-16-17-12(8)15-7-9-5-10(14)1-2-11(9)18/h1-5,18H,7,14H2,(H,15,17)
InChIKeyBXMFXTWUNCNCGZ-UHFFFAOYSA-N
XLogP1.25
TPSA107.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 3-[(5-amino-2-hydroxyphenyl)methylamino]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-[(5-amino-2-hydroxyphenyl)methylamino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[(5-amino-2-hydroxyphenyl)methylamino]pyridazine-4-carbonitrile (CID 80516234) is 3-[(5-amino-2-hydroxyphenyl)methylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(5-amino-2-hydroxyphenyl)methylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[(5-amino-2-hydroxyphenyl)methylamino]pyridazine-4-carbonitrile is N#Cc1ccnnc1NCc1cc(N)ccc1O.
What is the InChIKey of 3-[(5-amino-2-hydroxyphenyl)methylamino]pyridazine-4-carbonitrile?
The InChIKey is BXMFXTWUNCNCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c13-6-8-3-4-16-17-12(8)15-7-9-5-10(14)1-2-11(9)18/h1-5,18H,7,14H2,(H,15,17).
What are the key properties of 3-[(5-amino-2-hydroxyphenyl)methylamino]pyridazine-4-carbonitrile?
3-[(5-amino-2-hydroxyphenyl)methylamino]pyridazine-4-carbonitrile has a molecular weight of 241.25 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2-hydroxyphenyl)methylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80516234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).