4-amino-7-methyl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione

C8H8N4O2 — CID 135472989

IUPAC4-amino-7-methyl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione
SMILESCc1cc2c(=O)[nH]nc(N)c2c(=O)[nH]1
InChIInChI=1S/C8H8N4O2/c1-3-2-4-5(8(14)10-3)6(9)11-12-7(4)13/h2H,1H3,(H2,9,11)(H,10,14)(H,12,13)
InChIKeyGDBJPOULWYWWLA-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.50
Rot. Bonds

About 4-amino-7-methyl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione

4-amino-7-methyl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione (PubChem CID 135472989) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 4-amino-7-methyl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione.

Molecular Properties

Compound Name4-amino-7-methyl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione
PubChem CID135472989
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name4-amino-7-methyl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione
SMILESCc1cc2c(=O)[nH]nc(N)c2c(=O)[nH]1
InChIInChI=1S/C8H8N4O2/c1-3-2-4-5(8(14)10-3)6(9)11-12-7(4)13/h2H,1H3,(H2,9,11)(H,10,14)(H,12,13)
InChIKeyGDBJPOULWYWWLA-UHFFFAOYSA-N
XLogP-0.50
TPSA104.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-methyl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione?
The IUPAC name of 4-amino-7-methyl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione (CID 135472989) is 4-amino-7-methyl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione.
What is the SMILES notation for 4-amino-7-methyl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione?
The canonical SMILES for 4-amino-7-methyl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione is Cc1cc2c(=O)[nH]nc(N)c2c(=O)[nH]1.
What is the InChIKey of 4-amino-7-methyl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione?
The InChIKey is GDBJPOULWYWWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-3-2-4-5(8(14)10-3)6(9)11-12-7(4)13/h2H,1H3,(H2,9,11)(H,10,14)(H,12,13).
What are the key properties of 4-amino-7-methyl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione?
4-amino-7-methyl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione has a molecular weight of 192.18 g/mol, XLogP of -0.50, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-methyl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione is sourced from PubChem (CID 135472989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).