4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol

C15H11N5OS — CID 11324313

IUPAC4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol
SMILESOc1ccc(Cc2nnc3ncc(-c4cccs4)nn23)cc1
InChIInChI=1S/C15H11N5OS/c21-11-5-3-10(4-6-11)8-14-17-18-15-16-9-12(19-20(14)15)13-2-1-7-22-13/h1-7,9,21H,8H2
InChIKeyRRHIHRSNRYYJOB-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.54
Rot. Bonds3

About 4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol

4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol (PubChem CID 11324313) has the molecular formula C15H11N5OS and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol
PubChem CID11324313
Molecular FormulaC15H11N5OS
Molecular Weight309.35 g/mol
Exact Mass309.07
IUPAC Name4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol
SMILESOc1ccc(Cc2nnc3ncc(-c4cccs4)nn23)cc1
InChIInChI=1S/C15H11N5OS/c21-11-5-3-10(4-6-11)8-14-17-18-15-16-9-12(19-20(14)15)13-2-1-7-22-13/h1-7,9,21H,8H2
InChIKeyRRHIHRSNRYYJOB-UHFFFAOYSA-N
XLogP2.54
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol with MolForge

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Related Compounds

4-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-B][1,2,4]triazin-3-Yl]methyl]phenol
CID 11324689
4-[[6-(4-Methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 44576916
4-[(5-Thiophen-2-ylimidazo[4,5-b]pyrazin-3-yl)methyl]phenol
CID 11347373
4-[(6-Phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol
CID 11381132
4-(6-Thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)-phenol
CID 16736063
4-[(6-Thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol
CID 44576915
3-[6-(2-Thienyl)imidazo [1,2-a]pyrazin-3-yl]phenol
CID 117769781
[3-[3-(2-Thienyl)imidazo [1,2-b]pyridazin-6-yl]phenyl] methanol
CID 126673064
4-[3-(3-Thienyl)imidazo [1,2-a]pyrazin-6-yl]phenol
CID 126673302
2-Methoxy-4-[3-(2-thienyl) imidazo[1,2-b] pyridazin-6-yl]phenol
CID 137001351
7-(4-Methoxyphenyl)-6-thiophen-2-ylimidazo[2,1-c][1,2,4]triazine
CID 145958513
3-Thiophen-2-yl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 155565998

Frequently Asked Questions

What is the IUPAC name of 4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol?
The IUPAC name of 4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol (CID 11324313) is 4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol.
What is the SMILES notation for 4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol?
The canonical SMILES for 4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol is Oc1ccc(Cc2nnc3ncc(-c4cccs4)nn23)cc1.
What is the InChIKey of 4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol?
The InChIKey is RRHIHRSNRYYJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS/c21-11-5-3-10(4-6-11)8-14-17-18-15-16-9-12(19-20(14)15)13-2-1-7-22-13/h1-7,9,21H,8H2.
What are the key properties of 4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol?
4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol has a molecular weight of 309.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol is sourced from PubChem (CID 11324313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).