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

C17H20N4O2S — CID 126496342

IUPAC(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(4-methoxyphenyl)methylamino]methanol
SMILESCOc1ccc(CNC(O)c2sc3nnc(C)c(C)c3c2N)cc1
InChIInChI=1S/C17H20N4O2S/c1-9-10(2)20-21-17-13(9)14(18)15(24-17)16(22)19-8-11-4-6-12(23-3)7-5-11/h4-7,16,19,22H,8,18H2,1-3H3
InChIKeyYNZJLGLGQABGHX-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.68
Rot. Bonds5

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

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(4-methoxyphenyl)methylamino]methanol (PubChem CID 126496342) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(4-methoxyphenyl)methylamino]methanol.

Molecular Properties

Compound Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(4-methoxyphenyl)methylamino]methanol
PubChem CID126496342
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(4-methoxyphenyl)methylamino]methanol
SMILESCOc1ccc(CNC(O)c2sc3nnc(C)c(C)c3c2N)cc1
InChIInChI=1S/C17H20N4O2S/c1-9-10(2)20-21-17-13(9)14(18)15(24-17)16(22)19-8-11-4-6-12(23-3)7-5-11/h4-7,16,19,22H,8,18H2,1-3H3
InChIKeyYNZJLGLGQABGHX-UHFFFAOYSA-N
XLogP2.68
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-methoxyphenyl)methylamino]methanol?
The IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(4-methoxyphenyl)methylamino]methanol (CID 126496342) is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(4-methoxyphenyl)methylamino]methanol.
What is the SMILES notation for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(4-methoxyphenyl)methylamino]methanol?
The canonical SMILES for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(4-methoxyphenyl)methylamino]methanol is COc1ccc(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-methoxyphenyl)methylamino]methanol?
The InChIKey is YNZJLGLGQABGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-9-10(2)20-21-17-13(9)14(18)15(24-17)16(22)19-8-11-4-6-12(23-3)7-5-11/h4-7,16,19,22H,8,18H2,1-3H3.
What are the key properties of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(4-methoxyphenyl)methylamino]methanol?
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(4-methoxyphenyl)methylamino]methanol has a molecular weight of 344.44 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(4-methoxyphenyl)methylamino]methanol is sourced from PubChem (CID 126496342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).