4-methyl-2-phenylthieno[2,3-d]pyridazine-7-carboxamide

C14H11N3OS — CID 58739137

IUPAC4-methyl-2-phenylthieno[2,3-d]pyridazine-7-carboxamide
SMILESCc1nnc(C(N)=O)c2sc(-c3ccccc3)cc12
InChIInChI=1S/C14H11N3OS/c1-8-10-7-11(9-5-3-2-4-6-9)19-13(10)12(14(15)18)17-16-8/h2-7H,1H3,(H2,15,18)
InChIKeyIMRHZIIDXYZXLR-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.77
Rot. Bonds2

About 4-methyl-2-phenylthieno[2,3-d]pyridazine-7-carboxamide

4-methyl-2-phenylthieno[2,3-d]pyridazine-7-carboxamide (PubChem CID 58739137) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-methyl-2-phenylthieno[2,3-d]pyridazine-7-carboxamide.

Molecular Properties

Compound Name4-methyl-2-phenylthieno[2,3-d]pyridazine-7-carboxamide
PubChem CID58739137
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name4-methyl-2-phenylthieno[2,3-d]pyridazine-7-carboxamide
SMILESCc1nnc(C(N)=O)c2sc(-c3ccccc3)cc12
InChIInChI=1S/C14H11N3OS/c1-8-10-7-11(9-5-3-2-4-6-9)19-13(10)12(14(15)18)17-16-8/h2-7H,1H3,(H2,15,18)
InChIKeyIMRHZIIDXYZXLR-UHFFFAOYSA-N
XLogP2.77
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenylthieno[2,3-d]pyridazine-7-carboxamide?
The IUPAC name of 4-methyl-2-phenylthieno[2,3-d]pyridazine-7-carboxamide (CID 58739137) is 4-methyl-2-phenylthieno[2,3-d]pyridazine-7-carboxamide.
What is the SMILES notation for 4-methyl-2-phenylthieno[2,3-d]pyridazine-7-carboxamide?
The canonical SMILES for 4-methyl-2-phenylthieno[2,3-d]pyridazine-7-carboxamide is Cc1nnc(C(N)=O)c2sc(-c3ccccc3)cc12.
What is the InChIKey of 4-methyl-2-phenylthieno[2,3-d]pyridazine-7-carboxamide?
The InChIKey is IMRHZIIDXYZXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c1-8-10-7-11(9-5-3-2-4-6-9)19-13(10)12(14(15)18)17-16-8/h2-7H,1H3,(H2,15,18).
What are the key properties of 4-methyl-2-phenylthieno[2,3-d]pyridazine-7-carboxamide?
4-methyl-2-phenylthieno[2,3-d]pyridazine-7-carboxamide has a molecular weight of 269.33 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenylthieno[2,3-d]pyridazine-7-carboxamide is sourced from PubChem (CID 58739137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).