4-methyl-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazin-7-one

C13H11N3OS — CID 166400154

IUPAC4-methyl-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazin-7-one
SMILESCc1nn(Cc2ccccn2)c(=O)c2sccc12
InChIInChI=1S/C13H11N3OS/c1-9-11-5-7-18-12(11)13(17)16(15-9)8-10-4-2-3-6-14-10/h2-7H,8H2,1H3
InChIKeyIMUPCXPDIWSPFU-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.21
Rot. Bonds2

About 4-methyl-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazin-7-one

4-methyl-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazin-7-one (PubChem CID 166400154) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-methyl-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazin-7-one.

Molecular Properties

Compound Name4-methyl-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazin-7-one
PubChem CID166400154
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name4-methyl-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazin-7-one
SMILESCc1nn(Cc2ccccn2)c(=O)c2sccc12
InChIInChI=1S/C13H11N3OS/c1-9-11-5-7-18-12(11)13(17)16(15-9)8-10-4-2-3-6-14-10/h2-7H,8H2,1H3
InChIKeyIMUPCXPDIWSPFU-UHFFFAOYSA-N
XLogP2.21
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-phenyl-6-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyridazin-7-one
CID 16846184
1-(4-fluorophenyl)-4-methyl-6-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyridazin-7-one
CID 16846457
2-(4-methyl-1-oxophthalazin-2-yl)-N-(pyridin-2-ylmethyl)acetamide;hydrochloride
CID 90485291
3-methyl-1-(pyridin-2-ylmethyl)-9H-pyrazolo[5,4-b]quinolin-4-one
CID 135848128
2-(3-methylindazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 22509815
4-cyclopropyl-2-(pyridin-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-one
CID 121117157
2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 12988154
6-methyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one
CID 84592320
methyl 5-methoxy-6-oxo-1-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyridazine-4-carboxylate
CID 66573282
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108662431
ethyl N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]carbamate
CID 121049296
4-cyclopropyl-5-methyl-2-(pyridin-2-ylmethyl)-1,2,4-triazol-3-one
CID 126953671

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazin-7-one?
The IUPAC name of 4-methyl-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazin-7-one (CID 166400154) is 4-methyl-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazin-7-one.
What is the SMILES notation for 4-methyl-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazin-7-one?
The canonical SMILES for 4-methyl-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazin-7-one is Cc1nn(Cc2ccccn2)c(=O)c2sccc12.
What is the InChIKey of 4-methyl-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazin-7-one?
The InChIKey is IMUPCXPDIWSPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-9-11-5-7-18-12(11)13(17)16(15-9)8-10-4-2-3-6-14-10/h2-7H,8H2,1H3.
What are the key properties of 4-methyl-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazin-7-one?
4-methyl-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazin-7-one has a molecular weight of 257.32 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazin-7-one is sourced from PubChem (CID 166400154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).