5-amino-3-benzyl-1-methylthieno[3,4-d]pyridazin-4-one

C14H13N3OS — CID 70696774

IUPAC5-amino-3-benzyl-1-methylthieno[3,4-d]pyridazin-4-one
SMILESCc1nn(Cc2ccccc2)c(=O)c2c(N)scc12
InChIInChI=1S/C14H13N3OS/c1-9-11-8-19-13(15)12(11)14(18)17(16-9)7-10-5-3-2-4-6-10/h2-6,8H,7,15H2,1H3
InChIKeyKWAGISQAQKKXJZ-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.40
Rot. Bonds2

About 5-amino-3-benzyl-1-methylthieno[3,4-d]pyridazin-4-one

5-amino-3-benzyl-1-methylthieno[3,4-d]pyridazin-4-one (PubChem CID 70696774) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-amino-3-benzyl-1-methylthieno[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name5-amino-3-benzyl-1-methylthieno[3,4-d]pyridazin-4-one
PubChem CID70696774
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC Name5-amino-3-benzyl-1-methylthieno[3,4-d]pyridazin-4-one
SMILESCc1nn(Cc2ccccc2)c(=O)c2c(N)scc12
InChIInChI=1S/C14H13N3OS/c1-9-11-8-19-13(15)12(11)14(18)17(16-9)7-10-5-3-2-4-6-10/h2-6,8H,7,15H2,1H3
InChIKeyKWAGISQAQKKXJZ-UHFFFAOYSA-N
XLogP2.40
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-benzyl-1-methylthieno[3,4-d]pyridazin-4-one?
The IUPAC name of 5-amino-3-benzyl-1-methylthieno[3,4-d]pyridazin-4-one (CID 70696774) is 5-amino-3-benzyl-1-methylthieno[3,4-d]pyridazin-4-one.
What is the SMILES notation for 5-amino-3-benzyl-1-methylthieno[3,4-d]pyridazin-4-one?
The canonical SMILES for 5-amino-3-benzyl-1-methylthieno[3,4-d]pyridazin-4-one is Cc1nn(Cc2ccccc2)c(=O)c2c(N)scc12.
What is the InChIKey of 5-amino-3-benzyl-1-methylthieno[3,4-d]pyridazin-4-one?
The InChIKey is KWAGISQAQKKXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-11-8-19-13(15)12(11)14(18)17(16-9)7-10-5-3-2-4-6-10/h2-6,8H,7,15H2,1H3.
What are the key properties of 5-amino-3-benzyl-1-methylthieno[3,4-d]pyridazin-4-one?
5-amino-3-benzyl-1-methylthieno[3,4-d]pyridazin-4-one has a molecular weight of 271.34 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-benzyl-1-methylthieno[3,4-d]pyridazin-4-one is sourced from PubChem (CID 70696774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).