5-amino-4-oxo-N-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]thieno[3,4-d]pyridazine-1-carboxamide

C17H15F3N4O3S — CID 51040530

IUPAC5-amino-4-oxo-N-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]thieno[3,4-d]pyridazine-1-carboxamide
SMILESCC(C)NC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2c(N)scc12
InChIInChI=1S/C17H15F3N4O3S/c1-8(2)22-15(25)13-11-7-28-14(21)12(11)16(26)24(23-13)9-3-5-10(6-4-9)27-17(18,19)20/h3-8H,21H2,1-2H3,(H,22,25)
InChIKeyUHDZDQVDEANQIG-UHFFFAOYSA-N
MW412.39 g/mol
LogP3.07
Rot. Bonds4

About 5-amino-4-oxo-N-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]thieno[3,4-d]pyridazine-1-carboxamide

5-amino-4-oxo-N-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]thieno[3,4-d]pyridazine-1-carboxamide (PubChem CID 51040530) has the molecular formula C17H15F3N4O3S and a molecular weight of 412.39 g/mol. Its IUPAC name is 5-amino-4-oxo-N-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]thieno[3,4-d]pyridazine-1-carboxamide.

Molecular Properties

Compound Name5-amino-4-oxo-N-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]thieno[3,4-d]pyridazine-1-carboxamide
PubChem CID51040530
Molecular FormulaC17H15F3N4O3S
Molecular Weight412.39 g/mol
Exact Mass412.08
IUPAC Name5-amino-4-oxo-N-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]thieno[3,4-d]pyridazine-1-carboxamide
SMILESCC(C)NC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2c(N)scc12
InChIInChI=1S/C17H15F3N4O3S/c1-8(2)22-15(25)13-11-7-28-14(21)12(11)16(26)24(23-13)9-3-5-10(6-4-9)27-17(18,19)20/h3-8H,21H2,1-2H3,(H,22,25)
InChIKeyUHDZDQVDEANQIG-UHFFFAOYSA-N
XLogP3.07
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-oxo-N-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]thieno[3,4-d]pyridazine-1-carboxamide?
The IUPAC name of 5-amino-4-oxo-N-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]thieno[3,4-d]pyridazine-1-carboxamide (CID 51040530) is 5-amino-4-oxo-N-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]thieno[3,4-d]pyridazine-1-carboxamide.
What is the SMILES notation for 5-amino-4-oxo-N-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]thieno[3,4-d]pyridazine-1-carboxamide?
The canonical SMILES for 5-amino-4-oxo-N-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]thieno[3,4-d]pyridazine-1-carboxamide is CC(C)NC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2c(N)scc12.
What is the InChIKey of 5-amino-4-oxo-N-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]thieno[3,4-d]pyridazine-1-carboxamide?
The InChIKey is UHDZDQVDEANQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O3S/c1-8(2)22-15(25)13-11-7-28-14(21)12(11)16(26)24(23-13)9-3-5-10(6-4-9)27-17(18,19)20/h3-8H,21H2,1-2H3,(H,22,25).
What are the key properties of 5-amino-4-oxo-N-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]thieno[3,4-d]pyridazine-1-carboxamide?
5-amino-4-oxo-N-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]thieno[3,4-d]pyridazine-1-carboxamide has a molecular weight of 412.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-oxo-N-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]thieno[3,4-d]pyridazine-1-carboxamide is sourced from PubChem (CID 51040530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).