2-[6-methyl-5-(methylaminomethyl)thieno[2,3-c]pyridazin-3-yl]phenol

C15H15N3OS — CID 166128108

IUPAC2-[6-methyl-5-(methylaminomethyl)thieno[2,3-c]pyridazin-3-yl]phenol
SMILESCNCc1c(C)sc2nnc(-c3ccccc3O)cc12
InChIInChI=1S/C15H15N3OS/c1-9-12(8-16-2)11-7-13(17-18-15(11)20-9)10-5-3-4-6-14(10)19/h3-7,16,19H,8H2,1-2H3
InChIKeyBXNYPUOKWKUIGR-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.09
Rot. Bonds3

About 2-[6-methyl-5-(methylaminomethyl)thieno[2,3-c]pyridazin-3-yl]phenol

2-[6-methyl-5-(methylaminomethyl)thieno[2,3-c]pyridazin-3-yl]phenol (PubChem CID 166128108) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[6-methyl-5-(methylaminomethyl)thieno[2,3-c]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-methyl-5-(methylaminomethyl)thieno[2,3-c]pyridazin-3-yl]phenol
PubChem CID166128108
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-[6-methyl-5-(methylaminomethyl)thieno[2,3-c]pyridazin-3-yl]phenol
SMILESCNCc1c(C)sc2nnc(-c3ccccc3O)cc12
InChIInChI=1S/C15H15N3OS/c1-9-12(8-16-2)11-7-13(17-18-15(11)20-9)10-5-3-4-6-14(10)19/h3-7,16,19H,8H2,1-2H3
InChIKeyBXNYPUOKWKUIGR-UHFFFAOYSA-N
XLogP3.09
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-Diphenylthieno[2,3-c]pyridazin-5-ol
CID 6401461
CID 166127899
CID 166127899
2-[(6R)-6-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl]phenol
CID 166127910
CID 166127930
CID 166127930
Tert-butyl 3-[3-(2-hydroxyphenyl)thieno[2,3-c]pyridazin-6-yl]azetidine-1-carboxylate
CID 166127940
2-(8-Thia-4,10,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-12-yl)phenol
CID 166127952
CID 166127969
CID 166127969
2-(5,6,7,8-Tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl)phenol
CID 166127984
2-[5-ethenyl-6-[(Z)-prop-1-enyl]thieno[2,3-c]pyridazin-3-yl]phenol
CID 166128032
CID 166128034
CID 166128034
2-[(6S)-6-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl]phenol
CID 166128059
2-[6-(Azetidin-3-yl)thieno[2,3-c]pyridazin-3-yl]phenol
CID 166128071

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-5-(methylaminomethyl)thieno[2,3-c]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-methyl-5-(methylaminomethyl)thieno[2,3-c]pyridazin-3-yl]phenol (CID 166128108) is 2-[6-methyl-5-(methylaminomethyl)thieno[2,3-c]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-methyl-5-(methylaminomethyl)thieno[2,3-c]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-methyl-5-(methylaminomethyl)thieno[2,3-c]pyridazin-3-yl]phenol is CNCc1c(C)sc2nnc(-c3ccccc3O)cc12.
What is the InChIKey of 2-[6-methyl-5-(methylaminomethyl)thieno[2,3-c]pyridazin-3-yl]phenol?
The InChIKey is BXNYPUOKWKUIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-9-12(8-16-2)11-7-13(17-18-15(11)20-9)10-5-3-4-6-14(10)19/h3-7,16,19H,8H2,1-2H3.
What are the key properties of 2-[6-methyl-5-(methylaminomethyl)thieno[2,3-c]pyridazin-3-yl]phenol?
2-[6-methyl-5-(methylaminomethyl)thieno[2,3-c]pyridazin-3-yl]phenol has a molecular weight of 285.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-5-(methylaminomethyl)thieno[2,3-c]pyridazin-3-yl]phenol is sourced from PubChem (CID 166128108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).