4-imino-3-methyl-6H-pyrano[2,3-d]pyridazine-2,5-dione

C8H7N3O3 — CID 175815782

IUPAC4-imino-3-methyl-6H-pyrano[2,3-d]pyridazine-2,5-dione
SMILES[H]/N=C1/c2c(cn[nH]c2=O)OC(=O)C1C
InChIInChI=1S/C8H7N3O3/c1-3-6(9)5-4(14-8(3)13)2-10-11-7(5)12/h2-3,9H,1H3,(H,11,12)/b9-6+
InChIKeyWBDLGSYFRPBJJV-RMKNXTFCSA-N
MW193.16 g/mol
LogP-0.31
Rot. Bonds

About 4-imino-3-methyl-6H-pyrano[2,3-d]pyridazine-2,5-dione

4-imino-3-methyl-6H-pyrano[2,3-d]pyridazine-2,5-dione (PubChem CID 175815782) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 4-imino-3-methyl-6H-pyrano[2,3-d]pyridazine-2,5-dione.

Molecular Properties

Compound Name4-imino-3-methyl-6H-pyrano[2,3-d]pyridazine-2,5-dione
PubChem CID175815782
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name4-imino-3-methyl-6H-pyrano[2,3-d]pyridazine-2,5-dione
SMILES[H]/N=C1/c2c(cn[nH]c2=O)OC(=O)C1C
InChIInChI=1S/C8H7N3O3/c1-3-6(9)5-4(14-8(3)13)2-10-11-7(5)12/h2-3,9H,1H3,(H,11,12)/b9-6+
InChIKeyWBDLGSYFRPBJJV-RMKNXTFCSA-N
XLogP-0.31
TPSA95.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-imino-3-methyl-6H-pyrano[2,3-d]pyridazine-2,5-dione?
The IUPAC name of 4-imino-3-methyl-6H-pyrano[2,3-d]pyridazine-2,5-dione (CID 175815782) is 4-imino-3-methyl-6H-pyrano[2,3-d]pyridazine-2,5-dione.
What is the SMILES notation for 4-imino-3-methyl-6H-pyrano[2,3-d]pyridazine-2,5-dione?
The canonical SMILES for 4-imino-3-methyl-6H-pyrano[2,3-d]pyridazine-2,5-dione is [H]/N=C1/c2c(cn[nH]c2=O)OC(=O)C1C.
What is the InChIKey of 4-imino-3-methyl-6H-pyrano[2,3-d]pyridazine-2,5-dione?
The InChIKey is WBDLGSYFRPBJJV-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-3-6(9)5-4(14-8(3)13)2-10-11-7(5)12/h2-3,9H,1H3,(H,11,12)/b9-6+.
What are the key properties of 4-imino-3-methyl-6H-pyrano[2,3-d]pyridazine-2,5-dione?
4-imino-3-methyl-6H-pyrano[2,3-d]pyridazine-2,5-dione has a molecular weight of 193.16 g/mol, XLogP of -0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-3-methyl-6H-pyrano[2,3-d]pyridazine-2,5-dione is sourced from PubChem (CID 175815782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).