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

C13H19N5OS — CID 80519173

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

5-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 80519173) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 5-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide
• PubChem CID: 80519173
• Molecular Formula: C13H19N5OS
• Molecular Weight: 293.40 g/mol
• Exact Mass: 293.13
• IUPAC Name: 5-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide
• SMILES: CC(C)N(C)CCNC(=O)c1sc2nnccc2c1N
• InChI: InChI=1S/C13H19N5OS/c1-8(2)18(3)7-6-15-12(19)11-10(14)9-4-5-16-17-13(9)20-11/h4-5,8H,6-7,14H2,1-3H3,(H,15,19)
• InChIKey: YJDNAFBRAHQUMN-UHFFFAOYSA-N
• XLogP: 1.34
• TPSA: 84.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.40
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide (CID 80519173) is 5-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide.

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

The canonical SMILES for 5-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide is CC(C)N(C)CCNC(=O)c1sc2nnccc2c1N.

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

The InChIKey is YJDNAFBRAHQUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-8(2)18(3)7-6-15-12(19)11-10(14)9-4-5-16-17-13(9)20-11/h4-5,8H,6-7,14H2,1-3H3,(H,15,19).

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

5-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 293.40 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 80519173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).