5-methyl-7-(4-methylphenyl)-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one

C19H15N3OS — CID 90415937

IUPAC5-methyl-7-(4-methylphenyl)-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one
SMILESCc1ccc(-c2nn(C)c(=O)c3c(-c4ccncc4)csc23)cc1
InChIInChI=1S/C19H15N3OS/c1-12-3-5-14(6-4-12)17-18-16(19(23)22(2)21-17)15(11-24-18)13-7-9-20-10-8-13/h3-11H,1-2H3
InChIKeyBMUHZMBNGKONCU-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.03
Rot. Bonds2

About 5-methyl-7-(4-methylphenyl)-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one

5-methyl-7-(4-methylphenyl)-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one (PubChem CID 90415937) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 5-methyl-7-(4-methylphenyl)-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name5-methyl-7-(4-methylphenyl)-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one
PubChem CID90415937
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name5-methyl-7-(4-methylphenyl)-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one
SMILESCc1ccc(-c2nn(C)c(=O)c3c(-c4ccncc4)csc23)cc1
InChIInChI=1S/C19H15N3OS/c1-12-3-5-14(6-4-12)17-18-16(19(23)22(2)21-17)15(11-24-18)13-7-9-20-10-8-13/h3-11H,1-2H3
InChIKeyBMUHZMBNGKONCU-UHFFFAOYSA-N
XLogP4.03
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(4-methylphenyl)-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one?
The IUPAC name of 5-methyl-7-(4-methylphenyl)-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one (CID 90415937) is 5-methyl-7-(4-methylphenyl)-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one.
What is the SMILES notation for 5-methyl-7-(4-methylphenyl)-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one?
The canonical SMILES for 5-methyl-7-(4-methylphenyl)-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one is Cc1ccc(-c2nn(C)c(=O)c3c(-c4ccncc4)csc23)cc1.
What is the InChIKey of 5-methyl-7-(4-methylphenyl)-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one?
The InChIKey is BMUHZMBNGKONCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-12-3-5-14(6-4-12)17-18-16(19(23)22(2)21-17)15(11-24-18)13-7-9-20-10-8-13/h3-11H,1-2H3.
What are the key properties of 5-methyl-7-(4-methylphenyl)-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one?
5-methyl-7-(4-methylphenyl)-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one has a molecular weight of 333.42 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(4-methylphenyl)-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one is sourced from PubChem (CID 90415937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).