N-methylidene-6-oxo-1H-pyridazine-4-carboxamide

C6H5N3O2 — CID 131970829

IUPACN-methylidene-6-oxo-1H-pyridazine-4-carboxamide
SMILESC=NC(=O)c1cn[nH]c(=O)c1
InChIInChI=1S/C6H5N3O2/c1-7-6(11)4-2-5(10)9-8-3-4/h2-3H,1H2,(H,9,10)
InChIKeyDDNDCOMOHBDVST-UHFFFAOYSA-N
MW151.12 g/mol
LogP-0.39
Rot. Bonds1

About N-methylidene-6-oxo-1H-pyridazine-4-carboxamide

N-methylidene-6-oxo-1H-pyridazine-4-carboxamide (PubChem CID 131970829) has the molecular formula C6H5N3O2 and a molecular weight of 151.12 g/mol. Its IUPAC name is N-methylidene-6-oxo-1H-pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-methylidene-6-oxo-1H-pyridazine-4-carboxamide
PubChem CID131970829
Molecular FormulaC6H5N3O2
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC NameN-methylidene-6-oxo-1H-pyridazine-4-carboxamide
SMILESC=NC(=O)c1cn[nH]c(=O)c1
InChIInChI=1S/C6H5N3O2/c1-7-6(11)4-2-5(10)9-8-3-4/h2-3H,1H2,(H,9,10)
InChIKeyDDNDCOMOHBDVST-UHFFFAOYSA-N
XLogP-0.39
TPSA75.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methylidene-6-oxo-1H-pyridazine-4-carboxamide?
The IUPAC name of N-methylidene-6-oxo-1H-pyridazine-4-carboxamide (CID 131970829) is N-methylidene-6-oxo-1H-pyridazine-4-carboxamide.
What is the SMILES notation for N-methylidene-6-oxo-1H-pyridazine-4-carboxamide?
The canonical SMILES for N-methylidene-6-oxo-1H-pyridazine-4-carboxamide is C=NC(=O)c1cn[nH]c(=O)c1.
What is the InChIKey of N-methylidene-6-oxo-1H-pyridazine-4-carboxamide?
The InChIKey is DDNDCOMOHBDVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2/c1-7-6(11)4-2-5(10)9-8-3-4/h2-3H,1H2,(H,9,10).
What are the key properties of N-methylidene-6-oxo-1H-pyridazine-4-carboxamide?
N-methylidene-6-oxo-1H-pyridazine-4-carboxamide has a molecular weight of 151.12 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-6-oxo-1H-pyridazine-4-carboxamide is sourced from PubChem (CID 131970829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).