2-(5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazin-3-yl)phenol

C17H18N4OS — CID 170350073

IUPAC2-(5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazin-3-yl)phenol
SMILESCc1c(N2CCNCC2)sc2nnc(-c3ccccc3O)cc12
InChIInChI=1S/C17H18N4OS/c1-11-13-10-14(12-4-2-3-5-15(12)22)19-20-16(13)23-17(11)21-8-6-18-7-9-21/h2-5,10,18,22H,6-9H2,1H3
InChIKeyPJKHHEUOGNNMHV-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.78
Rot. Bonds2

About 2-(5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazin-3-yl)phenol

2-(5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazin-3-yl)phenol (PubChem CID 170350073) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-(5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazin-3-yl)phenol.

Molecular Properties

Compound Name2-(5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazin-3-yl)phenol
PubChem CID170350073
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name2-(5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazin-3-yl)phenol
SMILESCc1c(N2CCNCC2)sc2nnc(-c3ccccc3O)cc12
InChIInChI=1S/C17H18N4OS/c1-11-13-10-14(12-4-2-3-5-15(12)22)19-20-16(13)23-17(11)21-8-6-18-7-9-21/h2-5,10,18,22H,6-9H2,1H3
InChIKeyPJKHHEUOGNNMHV-UHFFFAOYSA-N
XLogP2.78
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazin-3-yl)phenol?
The IUPAC name of 2-(5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazin-3-yl)phenol (CID 170350073) is 2-(5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazin-3-yl)phenol.
What is the SMILES notation for 2-(5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazin-3-yl)phenol?
The canonical SMILES for 2-(5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazin-3-yl)phenol is Cc1c(N2CCNCC2)sc2nnc(-c3ccccc3O)cc12.
What is the InChIKey of 2-(5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazin-3-yl)phenol?
The InChIKey is PJKHHEUOGNNMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-11-13-10-14(12-4-2-3-5-15(12)22)19-20-16(13)23-17(11)21-8-6-18-7-9-21/h2-5,10,18,22H,6-9H2,1H3.
What are the key properties of 2-(5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazin-3-yl)phenol?
2-(5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazin-3-yl)phenol has a molecular weight of 326.43 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-6-piperazin-1-ylthieno[2,3-c]pyridazin-3-yl)phenol is sourced from PubChem (CID 170350073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).