4-azido-6,7-dihydropyrido[2,3-d]pyridazine-5,8-dione

C7H4N6O2 — CID 129166447

IUPAC4-azido-6,7-dihydropyrido[2,3-d]pyridazine-5,8-dione
SMILES[N-]=[N+]=Nc1ccnc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C7H4N6O2/c8-13-10-3-1-2-9-5-4(3)6(14)11-12-7(5)15/h1-2H,(H,11,14)(H,12,15)
InChIKeyWWKPVVRMWIVEGS-UHFFFAOYSA-N
MW204.15 g/mol
LogP0.55
Rot. Bonds1

About 4-azido-6,7-dihydropyrido[2,3-d]pyridazine-5,8-dione

4-azido-6,7-dihydropyrido[2,3-d]pyridazine-5,8-dione (PubChem CID 129166447) has the molecular formula C7H4N6O2 and a molecular weight of 204.15 g/mol. Its IUPAC name is 4-azido-6,7-dihydropyrido[2,3-d]pyridazine-5,8-dione.

Molecular Properties

Compound Name4-azido-6,7-dihydropyrido[2,3-d]pyridazine-5,8-dione
PubChem CID129166447
Molecular FormulaC7H4N6O2
Molecular Weight204.15 g/mol
Exact Mass204.04
IUPAC Name4-azido-6,7-dihydropyrido[2,3-d]pyridazine-5,8-dione
SMILES[N-]=[N+]=Nc1ccnc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C7H4N6O2/c8-13-10-3-1-2-9-5-4(3)6(14)11-12-7(5)15/h1-2H,(H,11,14)(H,12,15)
InChIKeyWWKPVVRMWIVEGS-UHFFFAOYSA-N
XLogP0.55
TPSA127.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-azido-6,7-dihydropyrido[2,3-d]pyridazine-5,8-dione?
The IUPAC name of 4-azido-6,7-dihydropyrido[2,3-d]pyridazine-5,8-dione (CID 129166447) is 4-azido-6,7-dihydropyrido[2,3-d]pyridazine-5,8-dione.
What is the SMILES notation for 4-azido-6,7-dihydropyrido[2,3-d]pyridazine-5,8-dione?
The canonical SMILES for 4-azido-6,7-dihydropyrido[2,3-d]pyridazine-5,8-dione is [N-]=[N+]=Nc1ccnc2c(=O)[nH][nH]c(=O)c12.
What is the InChIKey of 4-azido-6,7-dihydropyrido[2,3-d]pyridazine-5,8-dione?
The InChIKey is WWKPVVRMWIVEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N6O2/c8-13-10-3-1-2-9-5-4(3)6(14)11-12-7(5)15/h1-2H,(H,11,14)(H,12,15).
What are the key properties of 4-azido-6,7-dihydropyrido[2,3-d]pyridazine-5,8-dione?
4-azido-6,7-dihydropyrido[2,3-d]pyridazine-5,8-dione has a molecular weight of 204.15 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-6,7-dihydropyrido[2,3-d]pyridazine-5,8-dione is sourced from PubChem (CID 129166447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).