N-(6-oxo-1H-pyridazin-3-yl)formamide

C5H5N3O2 — CID 55285971

IUPACN-(6-oxo-1H-pyridazin-3-yl)formamide
SMILESO=CNc1ccc(=O)[nH]n1
InChIInChI=1S/C5H5N3O2/c9-3-6-4-1-2-5(10)8-7-4/h1-3H,(H,8,10)(H,6,7,9)
InChIKeyPHQPQCWICKNKSB-UHFFFAOYSA-N
MW139.11 g/mol
LogP-0.66
Rot. Bonds2

About N-(6-oxo-1H-pyridazin-3-yl)formamide

N-(6-oxo-1H-pyridazin-3-yl)formamide (PubChem CID 55285971) has the molecular formula C5H5N3O2 and a molecular weight of 139.11 g/mol. Its IUPAC name is N-(6-oxo-1H-pyridazin-3-yl)formamide.

Molecular Properties

Compound NameN-(6-oxo-1H-pyridazin-3-yl)formamide
PubChem CID55285971
Molecular FormulaC5H5N3O2
Molecular Weight139.11 g/mol
Exact Mass139.04
IUPAC NameN-(6-oxo-1H-pyridazin-3-yl)formamide
SMILESO=CNc1ccc(=O)[nH]n1
InChIInChI=1S/C5H5N3O2/c9-3-6-4-1-2-5(10)8-7-4/h1-3H,(H,8,10)(H,6,7,9)
InChIKeyPHQPQCWICKNKSB-UHFFFAOYSA-N
XLogP-0.66
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
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-(6-oxo-1H-pyridazin-3-yl)formamide?
The IUPAC name of N-(6-oxo-1H-pyridazin-3-yl)formamide (CID 55285971) is N-(6-oxo-1H-pyridazin-3-yl)formamide.
What is the SMILES notation for N-(6-oxo-1H-pyridazin-3-yl)formamide?
The canonical SMILES for N-(6-oxo-1H-pyridazin-3-yl)formamide is O=CNc1ccc(=O)[nH]n1.
What is the InChIKey of N-(6-oxo-1H-pyridazin-3-yl)formamide?
The InChIKey is PHQPQCWICKNKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O2/c9-3-6-4-1-2-5(10)8-7-4/h1-3H,(H,8,10)(H,6,7,9).
What are the key properties of N-(6-oxo-1H-pyridazin-3-yl)formamide?
N-(6-oxo-1H-pyridazin-3-yl)formamide has a molecular weight of 139.11 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-1H-pyridazin-3-yl)formamide is sourced from PubChem (CID 55285971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).