N-[2-hydroxy-1-(4-pyridazin-4-ylphenyl)ethyl]formamide

C13H13N3O2 — CID 170955216

IUPACN-[2-hydroxy-1-(4-pyridazin-4-ylphenyl)ethyl]formamide
SMILESO=CNC(CO)c1ccc(-c2ccnnc2)cc1
InChIInChI=1S/C13H13N3O2/c17-8-13(14-9-18)11-3-1-10(2-4-11)12-5-6-15-16-7-12/h1-7,9,13,17H,8H2,(H,14,18)
InChIKeyFFECYFMBACMBKN-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.92
Rot. Bonds5

About N-[2-hydroxy-1-(4-pyridazin-4-ylphenyl)ethyl]formamide

N-[2-hydroxy-1-(4-pyridazin-4-ylphenyl)ethyl]formamide (PubChem CID 170955216) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[2-hydroxy-1-(4-pyridazin-4-ylphenyl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-(4-pyridazin-4-ylphenyl)ethyl]formamide
PubChem CID170955216
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-[2-hydroxy-1-(4-pyridazin-4-ylphenyl)ethyl]formamide
SMILESO=CNC(CO)c1ccc(-c2ccnnc2)cc1
InChIInChI=1S/C13H13N3O2/c17-8-13(14-9-18)11-3-1-10(2-4-11)12-5-6-15-16-7-12/h1-7,9,13,17H,8H2,(H,14,18)
InChIKeyFFECYFMBACMBKN-UHFFFAOYSA-N
XLogP0.92
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-(4-pyridazin-4-ylphenyl)ethyl]formamide?
The IUPAC name of N-[2-hydroxy-1-(4-pyridazin-4-ylphenyl)ethyl]formamide (CID 170955216) is N-[2-hydroxy-1-(4-pyridazin-4-ylphenyl)ethyl]formamide.
What is the SMILES notation for N-[2-hydroxy-1-(4-pyridazin-4-ylphenyl)ethyl]formamide?
The canonical SMILES for N-[2-hydroxy-1-(4-pyridazin-4-ylphenyl)ethyl]formamide is O=CNC(CO)c1ccc(-c2ccnnc2)cc1.
What is the InChIKey of N-[2-hydroxy-1-(4-pyridazin-4-ylphenyl)ethyl]formamide?
The InChIKey is FFECYFMBACMBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-8-13(14-9-18)11-3-1-10(2-4-11)12-5-6-15-16-7-12/h1-7,9,13,17H,8H2,(H,14,18).
What are the key properties of N-[2-hydroxy-1-(4-pyridazin-4-ylphenyl)ethyl]formamide?
N-[2-hydroxy-1-(4-pyridazin-4-ylphenyl)ethyl]formamide has a molecular weight of 243.27 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-(4-pyridazin-4-ylphenyl)ethyl]formamide is sourced from PubChem (CID 170955216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).