2-[5-ethenyl-6-[(Z)-prop-1-enyl]thieno[2,3-c]pyridazin-3-yl]phenol

C17H14N2OS — CID 166128032

IUPAC2-[5-ethenyl-6-[(Z)-prop-1-enyl]thieno[2,3-c]pyridazin-3-yl]phenol
SMILESC=Cc1c(/C=C\C)sc2nnc(-c3ccccc3O)cc12
InChIInChI=1S/C17H14N2OS/c1-3-7-16-11(4-2)13-10-14(18-19-17(13)21-16)12-8-5-6-9-15(12)20/h3-10,20H,2H2,1H3/b7-3-
InChIKeyBHOMPCJSKQCBDX-CLTKARDFSA-N
MW294.38 g/mol
LogP4.74
Rot. Bonds3

About 2-[5-ethenyl-6-[(Z)-prop-1-enyl]thieno[2,3-c]pyridazin-3-yl]phenol

2-[5-ethenyl-6-[(Z)-prop-1-enyl]thieno[2,3-c]pyridazin-3-yl]phenol (PubChem CID 166128032) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[5-ethenyl-6-[(Z)-prop-1-enyl]thieno[2,3-c]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[5-ethenyl-6-[(Z)-prop-1-enyl]thieno[2,3-c]pyridazin-3-yl]phenol
PubChem CID166128032
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name2-[5-ethenyl-6-[(Z)-prop-1-enyl]thieno[2,3-c]pyridazin-3-yl]phenol
SMILESC=Cc1c(/C=C\C)sc2nnc(-c3ccccc3O)cc12
InChIInChI=1S/C17H14N2OS/c1-3-7-16-11(4-2)13-10-14(18-19-17(13)21-16)12-8-5-6-9-15(12)20/h3-10,20H,2H2,1H3/b7-3-
InChIKeyBHOMPCJSKQCBDX-CLTKARDFSA-N
XLogP4.74
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Chloro-3-fluorothieno[2,3-d]pyridazin-7-yl)-5-fluorophenol
CID 176205104
5-Hydroxy-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonitrile
CID 100945026
3,4-Diphenylthieno[2,3-c]pyridazin-5-ol
CID 6401461
2-{4-Chlorothieno[2,3-d]pyridazin-7-yl}phenol
CID 142487413
2-(4-Bromothieno[3,4-d]pyridazin-1-yl)phenol
CID 142487607
CID 166127899
CID 166127899
CID 166127909
CID 166127909
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

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethenyl-6-[(Z)-prop-1-enyl]thieno[2,3-c]pyridazin-3-yl]phenol?
The IUPAC name of 2-[5-ethenyl-6-[(Z)-prop-1-enyl]thieno[2,3-c]pyridazin-3-yl]phenol (CID 166128032) is 2-[5-ethenyl-6-[(Z)-prop-1-enyl]thieno[2,3-c]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[5-ethenyl-6-[(Z)-prop-1-enyl]thieno[2,3-c]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[5-ethenyl-6-[(Z)-prop-1-enyl]thieno[2,3-c]pyridazin-3-yl]phenol is C=Cc1c(/C=C\C)sc2nnc(-c3ccccc3O)cc12.
What is the InChIKey of 2-[5-ethenyl-6-[(Z)-prop-1-enyl]thieno[2,3-c]pyridazin-3-yl]phenol?
The InChIKey is BHOMPCJSKQCBDX-CLTKARDFSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-3-7-16-11(4-2)13-10-14(18-19-17(13)21-16)12-8-5-6-9-15(12)20/h3-10,20H,2H2,1H3/b7-3-.
What are the key properties of 2-[5-ethenyl-6-[(Z)-prop-1-enyl]thieno[2,3-c]pyridazin-3-yl]phenol?
2-[5-ethenyl-6-[(Z)-prop-1-enyl]thieno[2,3-c]pyridazin-3-yl]phenol has a molecular weight of 294.38 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethenyl-6-[(Z)-prop-1-enyl]thieno[2,3-c]pyridazin-3-yl]phenol is sourced from PubChem (CID 166128032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).