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

C18H22N4OS — CID 126496544

IUPAC(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(4-ethylphenyl)methylamino]methanol
SMILESCCc1ccc(CNC(O)c2sc3nnc(C)c(C)c3c2N)cc1
InChIInChI=1S/C18H22N4OS/c1-4-12-5-7-13(8-6-12)9-20-17(23)16-15(19)14-10(2)11(3)21-22-18(14)24-16/h5-8,17,20,23H,4,9,19H2,1-3H3
InChIKeyHHASYKVPBQZJEB-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.23
Rot. Bonds5

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

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(4-ethylphenyl)methylamino]methanol (PubChem CID 126496544) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(4-ethylphenyl)methylamino]methanol.

Molecular Properties

Compound Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(4-ethylphenyl)methylamino]methanol
PubChem CID126496544
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(4-ethylphenyl)methylamino]methanol
SMILESCCc1ccc(CNC(O)c2sc3nnc(C)c(C)c3c2N)cc1
InChIInChI=1S/C18H22N4OS/c1-4-12-5-7-13(8-6-12)9-20-17(23)16-15(19)14-10(2)11(3)21-22-18(14)24-16/h5-8,17,20,23H,4,9,19H2,1-3H3
InChIKeyHHASYKVPBQZJEB-UHFFFAOYSA-N
XLogP3.23
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(4-ethylphenyl)methylamino]methanol?
The IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(4-ethylphenyl)methylamino]methanol (CID 126496544) is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(4-ethylphenyl)methylamino]methanol.
What is the SMILES notation for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(4-ethylphenyl)methylamino]methanol?
The canonical SMILES for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(4-ethylphenyl)methylamino]methanol is CCc1ccc(CNC(O)c2sc3nnc(C)c(C)c3c2N)cc1.
What is the InChIKey of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(4-ethylphenyl)methylamino]methanol?
The InChIKey is HHASYKVPBQZJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-4-12-5-7-13(8-6-12)9-20-17(23)16-15(19)14-10(2)11(3)21-22-18(14)24-16/h5-8,17,20,23H,4,9,19H2,1-3H3.
What are the key properties of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(4-ethylphenyl)methylamino]methanol?
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(4-ethylphenyl)methylamino]methanol has a molecular weight of 342.47 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(4-ethylphenyl)methylamino]methanol is sourced from PubChem (CID 126496544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).