4-amino-2-(3-cyanophenyl)thieno[2,3-d]pyridazine-7-carboxamide

C14H9N5OS — CID 11594527

IUPAC4-amino-2-(3-cyanophenyl)thieno[2,3-d]pyridazine-7-carboxamide
SMILESN#Cc1cccc(-c2cc3c(N)nnc(C(N)=O)c3s2)c1
InChIInChI=1S/C14H9N5OS/c15-6-7-2-1-3-8(4-7)10-5-9-12(21-10)11(14(17)20)18-19-13(9)16/h1-5H,(H2,16,19)(H2,17,20)
InChIKeyAOJLCBVPQJIJTA-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.91
Rot. Bonds2

About 4-amino-2-(3-cyanophenyl)thieno[2,3-d]pyridazine-7-carboxamide

4-amino-2-(3-cyanophenyl)thieno[2,3-d]pyridazine-7-carboxamide (PubChem CID 11594527) has the molecular formula C14H9N5OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 4-amino-2-(3-cyanophenyl)thieno[2,3-d]pyridazine-7-carboxamide.

Molecular Properties

Compound Name4-amino-2-(3-cyanophenyl)thieno[2,3-d]pyridazine-7-carboxamide
PubChem CID11594527
Molecular FormulaC14H9N5OS
Molecular Weight295.33 g/mol
Exact Mass295.05
IUPAC Name4-amino-2-(3-cyanophenyl)thieno[2,3-d]pyridazine-7-carboxamide
SMILESN#Cc1cccc(-c2cc3c(N)nnc(C(N)=O)c3s2)c1
InChIInChI=1S/C14H9N5OS/c15-6-7-2-1-3-8(4-7)10-5-9-12(21-10)11(14(17)20)18-19-13(9)16/h1-5H,(H2,16,19)(H2,17,20)
InChIKeyAOJLCBVPQJIJTA-UHFFFAOYSA-N
XLogP1.91
TPSA118.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-cyanophenyl)thieno[2,3-d]pyridazine-7-carboxamide?
The IUPAC name of 4-amino-2-(3-cyanophenyl)thieno[2,3-d]pyridazine-7-carboxamide (CID 11594527) is 4-amino-2-(3-cyanophenyl)thieno[2,3-d]pyridazine-7-carboxamide.
What is the SMILES notation for 4-amino-2-(3-cyanophenyl)thieno[2,3-d]pyridazine-7-carboxamide?
The canonical SMILES for 4-amino-2-(3-cyanophenyl)thieno[2,3-d]pyridazine-7-carboxamide is N#Cc1cccc(-c2cc3c(N)nnc(C(N)=O)c3s2)c1.
What is the InChIKey of 4-amino-2-(3-cyanophenyl)thieno[2,3-d]pyridazine-7-carboxamide?
The InChIKey is AOJLCBVPQJIJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5OS/c15-6-7-2-1-3-8(4-7)10-5-9-12(21-10)11(14(17)20)18-19-13(9)16/h1-5H,(H2,16,19)(H2,17,20).
What are the key properties of 4-amino-2-(3-cyanophenyl)thieno[2,3-d]pyridazine-7-carboxamide?
4-amino-2-(3-cyanophenyl)thieno[2,3-d]pyridazine-7-carboxamide has a molecular weight of 295.33 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-cyanophenyl)thieno[2,3-d]pyridazine-7-carboxamide is sourced from PubChem (CID 11594527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).