1-amino-[1]benzothiolo[2,3-d]pyridazine-4-carboxamide

C11H8N4OS — CID 59198478

IUPAC1-amino-[1]benzothiolo[2,3-d]pyridazine-4-carboxamide
SMILESNC(=O)c1nnc(N)c2c1sc1ccccc12
InChIInChI=1S/C11H8N4OS/c12-10-7-5-3-1-2-4-6(5)17-9(7)8(11(13)16)14-15-10/h1-4H,(H2,12,15)(H2,13,16)
InChIKeyPPOLQUQCOLRNOK-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.53
Rot. Bonds1

About 1-amino-[1]benzothiolo[2,3-d]pyridazine-4-carboxamide

1-amino-[1]benzothiolo[2,3-d]pyridazine-4-carboxamide (PubChem CID 59198478) has the molecular formula C11H8N4OS and a molecular weight of 244.28 g/mol. Its IUPAC name is 1-amino-[1]benzothiolo[2,3-d]pyridazine-4-carboxamide.

Molecular Properties

Compound Name1-amino-[1]benzothiolo[2,3-d]pyridazine-4-carboxamide
PubChem CID59198478
Molecular FormulaC11H8N4OS
Molecular Weight244.28 g/mol
Exact Mass244.04
IUPAC Name1-amino-[1]benzothiolo[2,3-d]pyridazine-4-carboxamide
SMILESNC(=O)c1nnc(N)c2c1sc1ccccc12
InChIInChI=1S/C11H8N4OS/c12-10-7-5-3-1-2-4-6(5)17-9(7)8(11(13)16)14-15-10/h1-4H,(H2,12,15)(H2,13,16)
InChIKeyPPOLQUQCOLRNOK-UHFFFAOYSA-N
XLogP1.53
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-[1]benzothiolo[2,3-d]pyridazine-4-carboxamide?
The IUPAC name of 1-amino-[1]benzothiolo[2,3-d]pyridazine-4-carboxamide (CID 59198478) is 1-amino-[1]benzothiolo[2,3-d]pyridazine-4-carboxamide.
What is the SMILES notation for 1-amino-[1]benzothiolo[2,3-d]pyridazine-4-carboxamide?
The canonical SMILES for 1-amino-[1]benzothiolo[2,3-d]pyridazine-4-carboxamide is NC(=O)c1nnc(N)c2c1sc1ccccc12.
What is the InChIKey of 1-amino-[1]benzothiolo[2,3-d]pyridazine-4-carboxamide?
The InChIKey is PPOLQUQCOLRNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4OS/c12-10-7-5-3-1-2-4-6(5)17-9(7)8(11(13)16)14-15-10/h1-4H,(H2,12,15)(H2,13,16).
What are the key properties of 1-amino-[1]benzothiolo[2,3-d]pyridazine-4-carboxamide?
1-amino-[1]benzothiolo[2,3-d]pyridazine-4-carboxamide has a molecular weight of 244.28 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-[1]benzothiolo[2,3-d]pyridazine-4-carboxamide is sourced from PubChem (CID 59198478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).