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

C12H19N3O — CID 59751914

IUPAC8-pentyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESCCCCCc1n[nH]c(=O)c2c1NCCC2
InChIInChI=1S/C12H19N3O/c1-2-3-4-7-10-11-9(6-5-8-13-11)12(16)15-14-10/h13H,2-8H2,1H3,(H,15,16)
InChIKeyALPXJYFQSQRSHV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.86
Rot. Bonds4

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

8-pentyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (PubChem CID 59751914) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 8-pentyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name8-pentyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
PubChem CID59751914
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name8-pentyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESCCCCCc1n[nH]c(=O)c2c1NCCC2
InChIInChI=1S/C12H19N3O/c1-2-3-4-7-10-11-9(6-5-8-13-11)12(16)15-14-10/h13H,2-8H2,1H3,(H,15,16)
InChIKeyALPXJYFQSQRSHV-UHFFFAOYSA-N
XLogP1.86
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-pentyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 8-pentyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (CID 59751914) is 8-pentyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 8-pentyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 8-pentyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is CCCCCc1n[nH]c(=O)c2c1NCCC2.
What is the InChIKey of 8-pentyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The InChIKey is ALPXJYFQSQRSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-3-4-7-10-11-9(6-5-8-13-11)12(16)15-14-10/h13H,2-8H2,1H3,(H,15,16).
What are the key properties of 8-pentyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
8-pentyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one has a molecular weight of 221.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pentyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 59751914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).