nitric acid;pyridazine

C4H5N3O3 — CID 160518352

IUPACnitric acid;pyridazine
SMILESO=[N+]([O-])O.c1ccnnc1
InChIInChI=1S/C4H4N2.HNO3/c1-2-4-6-5-3-1;2-1(3)4/h1-4H;(H,2,3,4)
InChIKeyQTYIVCMEPSHFIM-UHFFFAOYSA-N
MW143.10 g/mol
LogP0.13
Rot. Bonds

About nitric acid;pyridazine

nitric acid;pyridazine (PubChem CID 160518352) has the molecular formula C4H5N3O3 and a molecular weight of 143.10 g/mol. Its IUPAC name is nitric acid;pyridazine.

Molecular Properties

Compound Namenitric acid;pyridazine
PubChem CID160518352
Molecular FormulaC4H5N3O3
Molecular Weight143.10 g/mol
Exact Mass143.03
IUPAC Namenitric acid;pyridazine
SMILESO=[N+]([O-])O.c1ccnnc1
InChIInChI=1S/C4H4N2.HNO3/c1-2-4-6-5-3-1;2-1(3)4/h1-4H;(H,2,3,4)
InChIKeyQTYIVCMEPSHFIM-UHFFFAOYSA-N
XLogP0.13
TPSA89.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.10
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 173119623
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CID 173119618
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CID 173441316
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cadmium;bis(nitric acid)
CID 72833329

Frequently Asked Questions

What is the IUPAC name of nitric acid;pyridazine?
The IUPAC name of nitric acid;pyridazine (CID 160518352) is nitric acid;pyridazine.
What is the SMILES notation for nitric acid;pyridazine?
The canonical SMILES for nitric acid;pyridazine is O=[N+]([O-])O.c1ccnnc1.
What is the InChIKey of nitric acid;pyridazine?
The InChIKey is QTYIVCMEPSHFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.HNO3/c1-2-4-6-5-3-1;2-1(3)4/h1-4H;(H,2,3,4).
What are the key properties of nitric acid;pyridazine?
nitric acid;pyridazine has a molecular weight of 143.10 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;pyridazine is sourced from PubChem (CID 160518352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).