N-pyridazin-4-ylformamide

C5H5N3O — CID 14651321

IUPACN-pyridazin-4-ylformamide
SMILESO=CNc1ccnnc1
InChIInChI=1S/C5H5N3O/c9-4-6-5-1-2-7-8-3-5/h1-4H,(H,6,7,9)
InChIKeyYCBSYVAZBWDHKQ-UHFFFAOYSA-N
MW123.11 g/mol
LogP0.04
Rot. Bonds2

About N-pyridazin-4-ylformamide

N-pyridazin-4-ylformamide (PubChem CID 14651321) has the molecular formula C5H5N3O and a molecular weight of 123.11 g/mol. Its IUPAC name is N-pyridazin-4-ylformamide.

Molecular Properties

Compound NameN-pyridazin-4-ylformamide
PubChem CID14651321
Molecular FormulaC5H5N3O
Molecular Weight123.11 g/mol
Exact Mass123.04
IUPAC NameN-pyridazin-4-ylformamide
SMILESO=CNc1ccnnc1
InChIInChI=1S/C5H5N3O/c9-4-6-5-1-2-7-8-3-5/h1-4H,(H,6,7,9)
InChIKeyYCBSYVAZBWDHKQ-UHFFFAOYSA-N
XLogP0.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-pyridazin-4-ylformamide?
The IUPAC name of N-pyridazin-4-ylformamide (CID 14651321) is N-pyridazin-4-ylformamide.
What is the SMILES notation for N-pyridazin-4-ylformamide?
The canonical SMILES for N-pyridazin-4-ylformamide is O=CNc1ccnnc1.
What is the InChIKey of N-pyridazin-4-ylformamide?
The InChIKey is YCBSYVAZBWDHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O/c9-4-6-5-1-2-7-8-3-5/h1-4H,(H,6,7,9).
What are the key properties of N-pyridazin-4-ylformamide?
N-pyridazin-4-ylformamide has a molecular weight of 123.11 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridazin-4-ylformamide is sourced from PubChem (CID 14651321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).