5-amino-1-phenyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one

C15H15N3OS — CID 70696775

IUPAC5-amino-1-phenyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one
SMILESCC(C)n1nc(-c2ccccc2)c2csc(N)c2c1=O
InChIInChI=1S/C15H15N3OS/c1-9(2)18-15(19)12-11(8-20-14(12)16)13(17-18)10-6-4-3-5-7-10/h3-9H,16H2,1-2H3
InChIKeyFEECTMXJJOAYRP-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.29
Rot. Bonds2

About 5-amino-1-phenyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one

5-amino-1-phenyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one (PubChem CID 70696775) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-amino-1-phenyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name5-amino-1-phenyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one
PubChem CID70696775
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name5-amino-1-phenyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one
SMILESCC(C)n1nc(-c2ccccc2)c2csc(N)c2c1=O
InChIInChI=1S/C15H15N3OS/c1-9(2)18-15(19)12-11(8-20-14(12)16)13(17-18)10-6-4-3-5-7-10/h3-9H,16H2,1-2H3
InChIKeyFEECTMXJJOAYRP-UHFFFAOYSA-N
XLogP3.29
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-phenyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one?
The IUPAC name of 5-amino-1-phenyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one (CID 70696775) is 5-amino-1-phenyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one.
What is the SMILES notation for 5-amino-1-phenyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one?
The canonical SMILES for 5-amino-1-phenyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one is CC(C)n1nc(-c2ccccc2)c2csc(N)c2c1=O.
What is the InChIKey of 5-amino-1-phenyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one?
The InChIKey is FEECTMXJJOAYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-9(2)18-15(19)12-11(8-20-14(12)16)13(17-18)10-6-4-3-5-7-10/h3-9H,16H2,1-2H3.
What are the key properties of 5-amino-1-phenyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one?
5-amino-1-phenyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one has a molecular weight of 285.37 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-phenyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one is sourced from PubChem (CID 70696775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).