1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione

C8H9N3O2 — CID 130250634

IUPAC1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione
SMILESCc1n[nH]c(=O)c2c1CCNC2=O
InChIInChI=1S/C8H9N3O2/c1-4-5-2-3-9-7(12)6(5)8(13)11-10-4/h2-3H2,1H3,(H,9,12)(H,11,13)
InChIKeyFUALCRLAZFHQRC-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.64
Rot. Bonds

About 1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione

1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione (PubChem CID 130250634) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione.

Molecular Properties

Compound Name1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione
PubChem CID130250634
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione
SMILESCc1n[nH]c(=O)c2c1CCNC2=O
InChIInChI=1S/C8H9N3O2/c1-4-5-2-3-9-7(12)6(5)8(13)11-10-4/h2-3H2,1H3,(H,9,12)(H,11,13)
InChIKeyFUALCRLAZFHQRC-UHFFFAOYSA-N
XLogP-0.64
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione?
The IUPAC name of 1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione (CID 130250634) is 1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione.
What is the SMILES notation for 1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione?
The canonical SMILES for 1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione is Cc1n[nH]c(=O)c2c1CCNC2=O.
What is the InChIKey of 1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione?
The InChIKey is FUALCRLAZFHQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-4-5-2-3-9-7(12)6(5)8(13)11-10-4/h2-3H2,1H3,(H,9,12)(H,11,13).
What are the key properties of 1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione?
1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione has a molecular weight of 179.18 g/mol, XLogP of -0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione is sourced from PubChem (CID 130250634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).