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

C13H10N4OS — CID 11680603

IUPAC4-amino-2-phenylthieno[2,3-d]pyridazine-7-carboxamide
SMILESNC(=O)c1nnc(N)c2cc(-c3ccccc3)sc12
InChIInChI=1S/C13H10N4OS/c14-12-8-6-9(7-4-2-1-3-5-7)19-11(8)10(13(15)18)16-17-12/h1-6H,(H2,14,17)(H2,15,18)
InChIKeyAZJVXFCDAPLPLE-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.04
Rot. Bonds2

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

4-amino-2-phenylthieno[2,3-d]pyridazine-7-carboxamide (PubChem CID 11680603) has the molecular formula C13H10N4OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 4-amino-2-phenylthieno[2,3-d]pyridazine-7-carboxamide.

Molecular Properties

Compound Name4-amino-2-phenylthieno[2,3-d]pyridazine-7-carboxamide
PubChem CID11680603
Molecular FormulaC13H10N4OS
Molecular Weight270.32 g/mol
Exact Mass270.06
IUPAC Name4-amino-2-phenylthieno[2,3-d]pyridazine-7-carboxamide
SMILESNC(=O)c1nnc(N)c2cc(-c3ccccc3)sc12
InChIInChI=1S/C13H10N4OS/c14-12-8-6-9(7-4-2-1-3-5-7)19-11(8)10(13(15)18)16-17-12/h1-6H,(H2,14,17)(H2,15,18)
InChIKeyAZJVXFCDAPLPLE-UHFFFAOYSA-N
XLogP2.04
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-phenylthieno[2,3-d]pyridazine-7-carboxamide?
The IUPAC name of 4-amino-2-phenylthieno[2,3-d]pyridazine-7-carboxamide (CID 11680603) is 4-amino-2-phenylthieno[2,3-d]pyridazine-7-carboxamide.
What is the SMILES notation for 4-amino-2-phenylthieno[2,3-d]pyridazine-7-carboxamide?
The canonical SMILES for 4-amino-2-phenylthieno[2,3-d]pyridazine-7-carboxamide is NC(=O)c1nnc(N)c2cc(-c3ccccc3)sc12.
What is the InChIKey of 4-amino-2-phenylthieno[2,3-d]pyridazine-7-carboxamide?
The InChIKey is AZJVXFCDAPLPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS/c14-12-8-6-9(7-4-2-1-3-5-7)19-11(8)10(13(15)18)16-17-12/h1-6H,(H2,14,17)(H2,15,18).
What are the key properties of 4-amino-2-phenylthieno[2,3-d]pyridazine-7-carboxamide?
4-amino-2-phenylthieno[2,3-d]pyridazine-7-carboxamide has a molecular weight of 270.32 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-phenylthieno[2,3-d]pyridazine-7-carboxamide is sourced from PubChem (CID 11680603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).