6-methyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5-one

C8H11N3O — CID 18918833

IUPAC6-methyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5-one
SMILESCn1ncc2c(c1=O)CCCN2
InChIInChI=1S/C8H11N3O/c1-11-8(12)6-3-2-4-9-7(6)5-10-11/h5,9H,2-4H2,1H3
InChIKeyYWMOUFAOSWYEDD-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.14
Rot. Bonds

About 6-methyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5-one

6-methyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5-one (PubChem CID 18918833) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 6-methyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name6-methyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5-one
PubChem CID18918833
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name6-methyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5-one
SMILESCn1ncc2c(c1=O)CCCN2
InChIInChI=1S/C8H11N3O/c1-11-8(12)6-3-2-4-9-7(6)5-10-11/h5,9H,2-4H2,1H3
InChIKeyYWMOUFAOSWYEDD-UHFFFAOYSA-N
XLogP0.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 6-methyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5-one (CID 18918833) is 6-methyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 6-methyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 6-methyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5-one is Cn1ncc2c(c1=O)CCCN2.
What is the InChIKey of 6-methyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5-one?
The InChIKey is YWMOUFAOSWYEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-11-8(12)6-3-2-4-9-7(6)5-10-11/h5,9H,2-4H2,1H3.
What are the key properties of 6-methyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5-one?
6-methyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5-one has a molecular weight of 165.20 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 18918833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).