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

C5H4IN3O2 — CID 131970796

IUPACN-iodo-6-oxo-1H-pyridazine-4-carboxamide
SMILESO=C(NI)c1cn[nH]c(=O)c1
InChIInChI=1S/C5H4IN3O2/c6-8-5(11)3-1-4(10)9-7-2-3/h1-2H,(H,8,11)(H,9,10)
InChIKeyQVYLCPIIGKEDER-UHFFFAOYSA-N
MW265.01 g/mol
LogP-0.15
Rot. Bonds1

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

N-iodo-6-oxo-1H-pyridazine-4-carboxamide (PubChem CID 131970796) has the molecular formula C5H4IN3O2 and a molecular weight of 265.01 g/mol. Its IUPAC name is N-iodo-6-oxo-1H-pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-iodo-6-oxo-1H-pyridazine-4-carboxamide
PubChem CID131970796
Molecular FormulaC5H4IN3O2
Molecular Weight265.01 g/mol
Exact Mass264.93
IUPAC NameN-iodo-6-oxo-1H-pyridazine-4-carboxamide
SMILESO=C(NI)c1cn[nH]c(=O)c1
InChIInChI=1S/C5H4IN3O2/c6-8-5(11)3-1-4(10)9-7-2-3/h1-2H,(H,8,11)(H,9,10)
InChIKeyQVYLCPIIGKEDER-UHFFFAOYSA-N
XLogP-0.15
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.01
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

methyl 6-oxo-1H-pyridazine-4-carboxylate
CID 53249880
2-ethyl-N-iodo-6-oxo-1H-pyridine-4-carboxamide
CID 170233626
methyl 3-cyclohexyl-3-[(6-oxo-1H-pyridazine-4-carbonyl)amino]propanoate
CID 171682287
4-sulfanyl-1H-pyridazin-6-one
CID 19881235
methyl 3-(6-oxo-1H-pyridazin-4-yl)propanoate
CID 174467407
3-[(6-oxo-1H-pyridazin-4-yl)amino]propanamide
CID 114391962
6-oxo-N-(2-trimethylsilylethoxymethyl)-1H-pyridazine-4-carbohydrazide
CID 68855499
N-iodo-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 129203750
4-(2-methylhydrazinyl)-1H-pyridazin-6-one
CID 142128565
3-fluoro-5-(6-oxo-1H-pyridazin-4-yl)benzoic acid
CID 106522840
4-(3-hydroxypropylamino)-1H-pyridazin-6-one
CID 114391926
N-(6-oxo-1H-pyridazin-4-yl)piperidine-1-carboxamide
CID 20785091

Frequently Asked Questions

What is the IUPAC name of N-iodo-6-oxo-1H-pyridazine-4-carboxamide?
The IUPAC name of N-iodo-6-oxo-1H-pyridazine-4-carboxamide (CID 131970796) is N-iodo-6-oxo-1H-pyridazine-4-carboxamide.
What is the SMILES notation for N-iodo-6-oxo-1H-pyridazine-4-carboxamide?
The canonical SMILES for N-iodo-6-oxo-1H-pyridazine-4-carboxamide is O=C(NI)c1cn[nH]c(=O)c1.
What is the InChIKey of N-iodo-6-oxo-1H-pyridazine-4-carboxamide?
The InChIKey is QVYLCPIIGKEDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4IN3O2/c6-8-5(11)3-1-4(10)9-7-2-3/h1-2H,(H,8,11)(H,9,10).
What are the key properties of N-iodo-6-oxo-1H-pyridazine-4-carboxamide?
N-iodo-6-oxo-1H-pyridazine-4-carboxamide has a molecular weight of 265.01 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-6-oxo-1H-pyridazine-4-carboxamide is sourced from PubChem (CID 131970796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).