2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine

C16H12N8S — CID 54759346

IUPAC2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
SMILESCn1cc(-c2cnc3nnn(Cc4cc5cccnc5s4)c3n2)cn1
InChIInChI=1S/C16H12N8S/c1-23-8-11(6-19-23)13-7-18-14-15(20-13)24(22-21-14)9-12-5-10-3-2-4-17-16(10)25-12/h2-8H,9H2,1H3
InChIKeyHBBALKBTOWSTGZ-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.28
Rot. Bonds3

About 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine

2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine (PubChem CID 54759346) has the molecular formula C16H12N8S and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine.

Molecular Properties

Compound Name2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
PubChem CID54759346
Molecular FormulaC16H12N8S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
SMILESCn1cc(-c2cnc3nnn(Cc4cc5cccnc5s4)c3n2)cn1
InChIInChI=1S/C16H12N8S/c1-23-8-11(6-19-23)13-7-18-14-15(20-13)24(22-21-14)9-12-5-10-3-2-4-17-16(10)25-12/h2-8H,9H2,1H3
InChIKeyHBBALKBTOWSTGZ-UHFFFAOYSA-N
XLogP2.28
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine?
The IUPAC name of 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine (CID 54759346) is 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine.
What is the SMILES notation for 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine?
The canonical SMILES for 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine is Cn1cc(-c2cnc3nnn(Cc4cc5cccnc5s4)c3n2)cn1.
What is the InChIKey of 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine?
The InChIKey is HBBALKBTOWSTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N8S/c1-23-8-11(6-19-23)13-7-18-14-15(20-13)24(22-21-14)9-12-5-10-3-2-4-17-16(10)25-12/h2-8H,9H2,1H3.
What are the key properties of 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine?
2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine has a molecular weight of 348.40 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine is sourced from PubChem (CID 54759346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).