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

C11H17N3O — CID 59751901

IUPAC8-butyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESCCCCc1n[nH]c(=O)c2c1NCCC2
InChIInChI=1S/C11H17N3O/c1-2-3-6-9-10-8(5-4-7-12-10)11(15)14-13-9/h12H,2-7H2,1H3,(H,14,15)
InChIKeyCGOULYMCGOSBKP-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.47
Rot. Bonds3

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

8-butyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (PubChem CID 59751901) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 8-butyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name8-butyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
PubChem CID59751901
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name8-butyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESCCCCc1n[nH]c(=O)c2c1NCCC2
InChIInChI=1S/C11H17N3O/c1-2-3-6-9-10-8(5-4-7-12-10)11(15)14-13-9/h12H,2-7H2,1H3,(H,14,15)
InChIKeyCGOULYMCGOSBKP-UHFFFAOYSA-N
XLogP1.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-butyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 8-butyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (CID 59751901) is 8-butyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 8-butyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 8-butyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is CCCCc1n[nH]c(=O)c2c1NCCC2.
What is the InChIKey of 8-butyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The InChIKey is CGOULYMCGOSBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-3-6-9-10-8(5-4-7-12-10)11(15)14-13-9/h12H,2-7H2,1H3,(H,14,15).
What are the key properties of 8-butyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
8-butyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one has a molecular weight of 207.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 59751901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).