8-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one

C8H11N3O — CID 130251026

IUPAC8-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESCc1n[nH]c(=O)c2c1NCCC2
InChIInChI=1S/C8H11N3O/c1-5-7-6(3-2-4-9-7)8(12)11-10-5/h9H,2-4H2,1H3,(H,11,12)
InChIKeyUEANVUAUKBGCBL-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.44
Rot. Bonds

About 8-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one

8-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (PubChem CID 130251026) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 8-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name8-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
PubChem CID130251026
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name8-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESCc1n[nH]c(=O)c2c1NCCC2
InChIInChI=1S/C8H11N3O/c1-5-7-6(3-2-4-9-7)8(12)11-10-5/h9H,2-4H2,1H3,(H,11,12)
InChIKeyUEANVUAUKBGCBL-UHFFFAOYSA-N
XLogP0.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 8-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (CID 130251026) is 8-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 8-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 8-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is Cc1n[nH]c(=O)c2c1NCCC2.
What is the InChIKey of 8-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The InChIKey is UEANVUAUKBGCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-5-7-6(3-2-4-9-7)8(12)11-10-5/h9H,2-4H2,1H3,(H,11,12).
What are the key properties of 8-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
8-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one has a molecular weight of 165.20 g/mol, XLogP of 0.44, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 130251026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).