2-methyl-6H-pyrido[3,4-d]pyridazine-1,7-dione

C8H7N3O2 — CID 170776049

IUPAC2-methyl-6H-pyrido[3,4-d]pyridazine-1,7-dione
SMILESCn1ncc2c[nH]c(=O)cc2c1=O
InChIInChI=1S/C8H7N3O2/c1-11-8(13)6-2-7(12)9-3-5(6)4-10-11/h2-4H,1H3,(H,9,12)
InChIKeyXKGNWPOZGHDWII-UHFFFAOYSA-N
MW177.16 g/mol
LogP-0.38
Rot. Bonds

About 2-methyl-6H-pyrido[3,4-d]pyridazine-1,7-dione

2-methyl-6H-pyrido[3,4-d]pyridazine-1,7-dione (PubChem CID 170776049) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-methyl-6H-pyrido[3,4-d]pyridazine-1,7-dione.

Molecular Properties

Compound Name2-methyl-6H-pyrido[3,4-d]pyridazine-1,7-dione
PubChem CID170776049
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name2-methyl-6H-pyrido[3,4-d]pyridazine-1,7-dione
SMILESCn1ncc2c[nH]c(=O)cc2c1=O
InChIInChI=1S/C8H7N3O2/c1-11-8(13)6-2-7(12)9-3-5(6)4-10-11/h2-4H,1H3,(H,9,12)
InChIKeyXKGNWPOZGHDWII-UHFFFAOYSA-N
XLogP-0.38
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6H-pyrido[3,4-d]pyridazine-1,7-dione?
The IUPAC name of 2-methyl-6H-pyrido[3,4-d]pyridazine-1,7-dione (CID 170776049) is 2-methyl-6H-pyrido[3,4-d]pyridazine-1,7-dione.
What is the SMILES notation for 2-methyl-6H-pyrido[3,4-d]pyridazine-1,7-dione?
The canonical SMILES for 2-methyl-6H-pyrido[3,4-d]pyridazine-1,7-dione is Cn1ncc2c[nH]c(=O)cc2c1=O.
What is the InChIKey of 2-methyl-6H-pyrido[3,4-d]pyridazine-1,7-dione?
The InChIKey is XKGNWPOZGHDWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-11-8(13)6-2-7(12)9-3-5(6)4-10-11/h2-4H,1H3,(H,9,12).
What are the key properties of 2-methyl-6H-pyrido[3,4-d]pyridazine-1,7-dione?
2-methyl-6H-pyrido[3,4-d]pyridazine-1,7-dione has a molecular weight of 177.16 g/mol, XLogP of -0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6H-pyrido[3,4-d]pyridazine-1,7-dione is sourced from PubChem (CID 170776049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).