[7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-d]pyridazin-2-yl]methanol

C16H17N3O3S — CID 178138723

IUPAC[7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-d]pyridazin-2-yl]methanol
SMILESCOc1ccc(CNc2nncc3cc(CO)sc23)c(OC)c1
InChIInChI=1S/C16H17N3O3S/c1-21-12-4-3-10(14(6-12)22-2)7-17-16-15-11(8-18-19-16)5-13(9-20)23-15/h3-6,8,20H,7,9H2,1-2H3,(H,17,19)
InChIKeyWFQGGBOOMOHROL-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.81
Rot. Bonds6

About [7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-d]pyridazin-2-yl]methanol

[7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-d]pyridazin-2-yl]methanol (PubChem CID 178138723) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is [7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-d]pyridazin-2-yl]methanol.

Molecular Properties

Compound Name[7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-d]pyridazin-2-yl]methanol
PubChem CID178138723
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name[7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-d]pyridazin-2-yl]methanol
SMILESCOc1ccc(CNc2nncc3cc(CO)sc23)c(OC)c1
InChIInChI=1S/C16H17N3O3S/c1-21-12-4-3-10(14(6-12)22-2)7-17-16-15-11(8-18-19-16)5-13(9-20)23-15/h3-6,8,20H,7,9H2,1-2H3,(H,17,19)
InChIKeyWFQGGBOOMOHROL-UHFFFAOYSA-N
XLogP2.81
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-c]pyridine-2-carboxamide
CID 163225385
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
[2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol
CID 43743131
4-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 80829199
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80906951
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethoxyaniline
CID 39427091
N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine
CID 91965180
N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 63363217
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 155166582
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropyridin-2-amine
CID 104923949
6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]pyridine-2,3,4-triamine
CID 154666347

Frequently Asked Questions

What is the IUPAC name of [7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-d]pyridazin-2-yl]methanol?
The IUPAC name of [7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-d]pyridazin-2-yl]methanol (CID 178138723) is [7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-d]pyridazin-2-yl]methanol.
What is the SMILES notation for [7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-d]pyridazin-2-yl]methanol?
The canonical SMILES for [7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-d]pyridazin-2-yl]methanol is COc1ccc(CNc2nncc3cc(CO)sc23)c(OC)c1.
What is the InChIKey of [7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-d]pyridazin-2-yl]methanol?
The InChIKey is WFQGGBOOMOHROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-21-12-4-3-10(14(6-12)22-2)7-17-16-15-11(8-18-19-16)5-13(9-20)23-15/h3-6,8,20H,7,9H2,1-2H3,(H,17,19).
What are the key properties of [7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-d]pyridazin-2-yl]methanol?
[7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-d]pyridazin-2-yl]methanol has a molecular weight of 331.40 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-d]pyridazin-2-yl]methanol is sourced from PubChem (CID 178138723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).