2-[(6R)-6-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl]phenol

C16H15N3OS — CID 166127910

IUPAC2-[(6R)-6-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl]phenol
SMILESN[C@@H]1CCc2sc3nnc(-c4ccccc4O)cc3c2C1
InChIInChI=1S/C16H15N3OS/c17-9-5-6-15-11(7-9)12-8-13(18-19-16(12)21-15)10-3-1-2-4-14(10)20/h1-4,8-9,20H,5-7,17H2/t9-/m1/s1
InChIKeyWCDKVENIBQAFLH-SECBINFHSA-N
MW297.38 g/mol
LogP2.88
Rot. Bonds1

About 2-[(6R)-6-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl]phenol

2-[(6R)-6-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl]phenol (PubChem CID 166127910) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[(6R)-6-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[(6R)-6-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl]phenol
PubChem CID166127910
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-[(6R)-6-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl]phenol
SMILESN[C@@H]1CCc2sc3nnc(-c4ccccc4O)cc3c2C1
InChIInChI=1S/C16H15N3OS/c17-9-5-6-15-11(7-9)12-8-13(18-19-16(12)21-15)10-3-1-2-4-14(10)20/h1-4,8-9,20H,5-7,17H2/t9-/m1/s1
InChIKeyWCDKVENIBQAFLH-SECBINFHSA-N
XLogP2.88
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6R)-6-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl]phenol?
The IUPAC name of 2-[(6R)-6-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl]phenol (CID 166127910) is 2-[(6R)-6-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[(6R)-6-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[(6R)-6-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl]phenol is N[C@@H]1CCc2sc3nnc(-c4ccccc4O)cc3c2C1.
What is the InChIKey of 2-[(6R)-6-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl]phenol?
The InChIKey is WCDKVENIBQAFLH-SECBINFHSA-N. The full InChI is InChI=1S/C16H15N3OS/c17-9-5-6-15-11(7-9)12-8-13(18-19-16(12)21-15)10-3-1-2-4-14(10)20/h1-4,8-9,20H,5-7,17H2/t9-/m1/s1.
What are the key properties of 2-[(6R)-6-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl]phenol?
2-[(6R)-6-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl]phenol has a molecular weight of 297.38 g/mol, XLogP of 2.88, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6R)-6-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl]phenol is sourced from PubChem (CID 166127910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).