(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2,4-difluorophenyl)methanol

C15H13F2N3OS — CID 155542543

IUPAC(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2,4-difluorophenyl)methanol
SMILESCc1nnc2sc(C(O)c3ccc(F)cc3F)c(N)c2c1C
InChIInChI=1S/C15H13F2N3OS/c1-6-7(2)19-20-15-11(6)12(18)14(22-15)13(21)9-4-3-8(16)5-10(9)17/h3-5,13,21H,18H2,1-2H3
InChIKeyIONUCYUTLQPLSH-UHFFFAOYSA-N
MW321.35 g/mol
LogP3.25
Rot. Bonds2

About (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2,4-difluorophenyl)methanol

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2,4-difluorophenyl)methanol (PubChem CID 155542543) has the molecular formula C15H13F2N3OS and a molecular weight of 321.35 g/mol. Its IUPAC name is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2,4-difluorophenyl)methanol.

Molecular Properties

Compound Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2,4-difluorophenyl)methanol
PubChem CID155542543
Molecular FormulaC15H13F2N3OS
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2,4-difluorophenyl)methanol
SMILESCc1nnc2sc(C(O)c3ccc(F)cc3F)c(N)c2c1C
InChIInChI=1S/C15H13F2N3OS/c1-6-7(2)19-20-15-11(6)12(18)14(22-15)13(21)9-4-3-8(16)5-10(9)17/h3-5,13,21H,18H2,1-2H3
InChIKeyIONUCYUTLQPLSH-UHFFFAOYSA-N
XLogP3.25
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2,4-difluorophenyl)methanol?
The IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2,4-difluorophenyl)methanol (CID 155542543) is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2,4-difluorophenyl)methanol.
What is the SMILES notation for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2,4-difluorophenyl)methanol?
The canonical SMILES for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2,4-difluorophenyl)methanol is Cc1nnc2sc(C(O)c3ccc(F)cc3F)c(N)c2c1C.
What is the InChIKey of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2,4-difluorophenyl)methanol?
The InChIKey is IONUCYUTLQPLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3OS/c1-6-7(2)19-20-15-11(6)12(18)14(22-15)13(21)9-4-3-8(16)5-10(9)17/h3-5,13,21H,18H2,1-2H3.
What are the key properties of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2,4-difluorophenyl)methanol?
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2,4-difluorophenyl)methanol has a molecular weight of 321.35 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2,4-difluorophenyl)methanol is sourced from PubChem (CID 155542543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).