5-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide

C12H13N7OS — CID 80690837

About 5-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 80690837) has the molecular formula C12H13N7OS and a molecular weight of 303.35 g/mol. Its IUPAC name is 5-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide
• PubChem CID: 80690837
• Molecular Formula: C12H13N7OS
• Molecular Weight: 303.35 g/mol
• Exact Mass: 303.09
• IUPAC Name: 5-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide
• SMILES: Cn1cnc(CCNC(=O)c2sc3nnccc3c2N)n1
• InChI: InChI=1S/C12H13N7OS/c1-19-6-15-8(18-19)3-4-14-11(20)10-9(13)7-2-5-16-17-12(7)21-10/h2,5-6H,3-4,13H2,1H3,(H,14,20)
• InChIKey: FURQYPVKKFVSID-UHFFFAOYSA-N
• XLogP: 0.37
• TPSA: 111.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.35
LogP ≤ 5	0.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide?

The IUPAC name of 5-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide (CID 80690837) is 5-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide.

What is the SMILES notation for 5-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide?

The canonical SMILES for 5-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide is Cn1cnc(CCNC(=O)c2sc3nnccc3c2N)n1.

What is the InChIKey of 5-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide?

The InChIKey is FURQYPVKKFVSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7OS/c1-19-6-15-8(18-19)3-4-14-11(20)10-9(13)7-2-5-16-17-12(7)21-10/h2,5-6H,3-4,13H2,1H3,(H,14,20).

What are the key properties of 5-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide?

5-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 303.35 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 80690837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).