6-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one

C11H11N5OS — CID 167785831

IUPAC6-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one
SMILESCc1nc(-n2nc(C)c3ccsc3c2=O)n(C)n1
InChIInChI=1S/C11H11N5OS/c1-6-8-4-5-18-9(8)10(17)16(13-6)11-12-7(2)14-15(11)3/h4-5H,1-3H3
InChIKeyIZNSGYYMCDDLRF-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.19
Rot. Bonds1

About 6-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one

6-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one (PubChem CID 167785831) has the molecular formula C11H11N5OS and a molecular weight of 261.31 g/mol. Its IUPAC name is 6-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one.

Molecular Properties

Compound Name6-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one
PubChem CID167785831
Molecular FormulaC11H11N5OS
Molecular Weight261.31 g/mol
Exact Mass261.07
IUPAC Name6-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one
SMILESCc1nc(-n2nc(C)c3ccsc3c2=O)n(C)n1
InChIInChI=1S/C11H11N5OS/c1-6-8-4-5-18-9(8)10(17)16(13-6)11-12-7(2)14-15(11)3/h4-5H,1-3H3
InChIKeyIZNSGYYMCDDLRF-UHFFFAOYSA-N
XLogP1.19
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one?
The IUPAC name of 6-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one (CID 167785831) is 6-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one.
What is the SMILES notation for 6-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one?
The canonical SMILES for 6-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one is Cc1nc(-n2nc(C)c3ccsc3c2=O)n(C)n1.
What is the InChIKey of 6-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one?
The InChIKey is IZNSGYYMCDDLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS/c1-6-8-4-5-18-9(8)10(17)16(13-6)11-12-7(2)14-15(11)3/h4-5H,1-3H3.
What are the key properties of 6-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one?
6-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one has a molecular weight of 261.31 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthieno[2,3-d]pyridazin-7-one is sourced from PubChem (CID 167785831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).