2,5,6-trimethyl-3-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridazine-4-carboxamide

C16H19N3O3 — CID 75370547

IUPAC2,5,6-trimethyl-3-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridazine-4-carboxamide
SMILESCc1nn(C)c(=O)c(C(=O)NC2CCCc3occc32)c1C
InChIInChI=1S/C16H19N3O3/c1-9-10(2)18-19(3)16(21)14(9)15(20)17-12-5-4-6-13-11(12)7-8-22-13/h7-8,12H,4-6H2,1-3H3,(H,17,20)
InChIKeyBUCDETZMSAOWCF-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.80
Rot. Bonds2

About 2,5,6-trimethyl-3-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridazine-4-carboxamide

2,5,6-trimethyl-3-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridazine-4-carboxamide (PubChem CID 75370547) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2,5,6-trimethyl-3-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name2,5,6-trimethyl-3-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridazine-4-carboxamide
PubChem CID75370547
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2,5,6-trimethyl-3-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridazine-4-carboxamide
SMILESCc1nn(C)c(=O)c(C(=O)NC2CCCc3occc32)c1C
InChIInChI=1S/C16H19N3O3/c1-9-10(2)18-19(3)16(21)14(9)15(20)17-12-5-4-6-13-11(12)7-8-22-13/h7-8,12H,4-6H2,1-3H3,(H,17,20)
InChIKeyBUCDETZMSAOWCF-UHFFFAOYSA-N
XLogP1.80
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,5,6-trimethyl-3-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridazine-4-carboxamide 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 2,5,6-trimethyl-3-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridazine-4-carboxamide?
The IUPAC name of 2,5,6-trimethyl-3-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridazine-4-carboxamide (CID 75370547) is 2,5,6-trimethyl-3-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridazine-4-carboxamide.
What is the SMILES notation for 2,5,6-trimethyl-3-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridazine-4-carboxamide?
The canonical SMILES for 2,5,6-trimethyl-3-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridazine-4-carboxamide is Cc1nn(C)c(=O)c(C(=O)NC2CCCc3occc32)c1C.
What is the InChIKey of 2,5,6-trimethyl-3-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridazine-4-carboxamide?
The InChIKey is BUCDETZMSAOWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-9-10(2)18-19(3)16(21)14(9)15(20)17-12-5-4-6-13-11(12)7-8-22-13/h7-8,12H,4-6H2,1-3H3,(H,17,20).
What are the key properties of 2,5,6-trimethyl-3-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridazine-4-carboxamide?
2,5,6-trimethyl-3-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridazine-4-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-3-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 75370547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).