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

C11H17N3O — CID 18918869

IUPAC6-tert-butyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5-one
SMILESCC(C)(C)n1ncc2c(c1=O)CCCN2
InChIInChI=1S/C11H17N3O/c1-11(2,3)14-10(15)8-5-4-6-12-9(8)7-13-14/h7,12H,4-6H2,1-3H3
InChIKeyFSMOGYAIEZAEML-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.36
Rot. Bonds

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

6-tert-butyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5-one (PubChem CID 18918869) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 6-tert-butyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name6-tert-butyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5-one
PubChem CID18918869
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name6-tert-butyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5-one
SMILESCC(C)(C)n1ncc2c(c1=O)CCCN2
InChIInChI=1S/C11H17N3O/c1-11(2,3)14-10(15)8-5-4-6-12-9(8)7-13-14/h7,12H,4-6H2,1-3H3
InChIKeyFSMOGYAIEZAEML-UHFFFAOYSA-N
XLogP1.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 6-tert-butyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5-one (CID 18918869) is 6-tert-butyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 6-tert-butyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 6-tert-butyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5-one is CC(C)(C)n1ncc2c(c1=O)CCCN2.
What is the InChIKey of 6-tert-butyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5-one?
The InChIKey is FSMOGYAIEZAEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-11(2,3)14-10(15)8-5-4-6-12-9(8)7-13-14/h7,12H,4-6H2,1-3H3.
What are the key properties of 6-tert-butyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5-one?
6-tert-butyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5-one has a molecular weight of 207.28 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 18918869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).