1,4-diethyl-7,8-didehydro-5,6-dihydropyrido[3,4-d]pyridazine

C11H13N3 — CID 163430014

IUPAC1,4-diethyl-7,8-didehydro-5,6-dihydropyrido[3,4-d]pyridazine
SMILESCCc1nnc(CC)c2c1C#CNC2
InChIInChI=1S/C11H13N3/c1-3-10-8-5-6-12-7-9(8)11(4-2)14-13-10/h12H,3-4,7H2,1-2H3
InChIKeyAPRJIHAADUWMIJ-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.01
Rot. Bonds2

About 1,4-diethyl-7,8-didehydro-5,6-dihydropyrido[3,4-d]pyridazine

1,4-diethyl-7,8-didehydro-5,6-dihydropyrido[3,4-d]pyridazine (PubChem CID 163430014) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1,4-diethyl-7,8-didehydro-5,6-dihydropyrido[3,4-d]pyridazine.

Molecular Properties

Compound Name1,4-diethyl-7,8-didehydro-5,6-dihydropyrido[3,4-d]pyridazine
PubChem CID163430014
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name1,4-diethyl-7,8-didehydro-5,6-dihydropyrido[3,4-d]pyridazine
SMILESCCc1nnc(CC)c2c1C#CNC2
InChIInChI=1S/C11H13N3/c1-3-10-8-5-6-12-7-9(8)11(4-2)14-13-10/h12H,3-4,7H2,1-2H3
InChIKeyAPRJIHAADUWMIJ-UHFFFAOYSA-N
XLogP1.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,4-diethyl-7,8-didehydro-5,6-dihydropyrido[3,4-d]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-7,8-didehydro-5,6-dihydropyrido[3,4-d]pyridazine?
The IUPAC name of 1,4-diethyl-7,8-didehydro-5,6-dihydropyrido[3,4-d]pyridazine (CID 163430014) is 1,4-diethyl-7,8-didehydro-5,6-dihydropyrido[3,4-d]pyridazine.
What is the SMILES notation for 1,4-diethyl-7,8-didehydro-5,6-dihydropyrido[3,4-d]pyridazine?
The canonical SMILES for 1,4-diethyl-7,8-didehydro-5,6-dihydropyrido[3,4-d]pyridazine is CCc1nnc(CC)c2c1C#CNC2.
What is the InChIKey of 1,4-diethyl-7,8-didehydro-5,6-dihydropyrido[3,4-d]pyridazine?
The InChIKey is APRJIHAADUWMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-3-10-8-5-6-12-7-9(8)11(4-2)14-13-10/h12H,3-4,7H2,1-2H3.
What are the key properties of 1,4-diethyl-7,8-didehydro-5,6-dihydropyrido[3,4-d]pyridazine?
1,4-diethyl-7,8-didehydro-5,6-dihydropyrido[3,4-d]pyridazine has a molecular weight of 187.25 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-7,8-didehydro-5,6-dihydropyrido[3,4-d]pyridazine is sourced from PubChem (CID 163430014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).