N-(6-chloropyridazin-3-yl)nitramide

C4H3ClN4O2 — CID 3017250

IUPACN-(6-chloropyridazin-3-yl)nitramide
SMILESO=[N+]([O-])Nc1ccc(Cl)nn1
InChIInChI=1S/C4H3ClN4O2/c5-3-1-2-4(7-6-3)8-9(10)11/h1-2H,(H,7,8)
InChIKeyUJGJMUKTKKWYGW-UHFFFAOYSA-N
MW174.55 g/mol
LogP0.73
Rot. Bonds2

About N-(6-chloropyridazin-3-yl)nitramide

N-(6-chloropyridazin-3-yl)nitramide (PubChem CID 3017250) has the molecular formula C4H3ClN4O2 and a molecular weight of 174.55 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)nitramide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)nitramide
PubChem CID3017250
Molecular FormulaC4H3ClN4O2
Molecular Weight174.55 g/mol
Exact Mass173.99
IUPAC NameN-(6-chloropyridazin-3-yl)nitramide
SMILESO=[N+]([O-])Nc1ccc(Cl)nn1
InChIInChI=1S/C4H3ClN4O2/c5-3-1-2-4(7-6-3)8-9(10)11/h1-2H,(H,7,8)
InChIKeyUJGJMUKTKKWYGW-UHFFFAOYSA-N
XLogP0.73
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.55
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)nitramide?
The IUPAC name of N-(6-chloropyridazin-3-yl)nitramide (CID 3017250) is N-(6-chloropyridazin-3-yl)nitramide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)nitramide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)nitramide is O=[N+]([O-])Nc1ccc(Cl)nn1.
What is the InChIKey of N-(6-chloropyridazin-3-yl)nitramide?
The InChIKey is UJGJMUKTKKWYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClN4O2/c5-3-1-2-4(7-6-3)8-9(10)11/h1-2H,(H,7,8).
What are the key properties of N-(6-chloropyridazin-3-yl)nitramide?
N-(6-chloropyridazin-3-yl)nitramide has a molecular weight of 174.55 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)nitramide is sourced from PubChem (CID 3017250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).