5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-1H-thieno[2,3-d]pyrazole

C16H15N9S — CID 53262676

IUPAC5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-1H-thieno[2,3-d]pyrazole
SMILESCC(C)n1cc(-c2cnc3nnn(Cc4cc5[nH]ncc5s4)c3n2)cn1
InChIInChI=1S/C16H15N9S/c1-9(2)24-7-10(4-19-24)13-5-17-15-16(20-13)25(23-22-15)8-11-3-12-14(26-11)6-18-21-12/h3-7,9H,8H2,1-2H3,(H,18,21)
InChIKeyQZVSBQOMXSXEFY-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.65
Rot. Bonds4

About 5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-1H-thieno[2,3-d]pyrazole

5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-1H-thieno[2,3-d]pyrazole (PubChem CID 53262676) has the molecular formula C16H15N9S and a molecular weight of 365.43 g/mol. Its IUPAC name is 5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-1H-thieno[2,3-d]pyrazole.

Molecular Properties

Compound Name5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-1H-thieno[2,3-d]pyrazole
PubChem CID53262676
Molecular FormulaC16H15N9S
Molecular Weight365.43 g/mol
Exact Mass365.12
IUPAC Name5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-1H-thieno[2,3-d]pyrazole
SMILESCC(C)n1cc(-c2cnc3nnn(Cc4cc5[nH]ncc5s4)c3n2)cn1
InChIInChI=1S/C16H15N9S/c1-9(2)24-7-10(4-19-24)13-5-17-15-16(20-13)25(23-22-15)8-11-3-12-14(26-11)6-18-21-12/h3-7,9H,8H2,1-2H3,(H,18,21)
InChIKeyQZVSBQOMXSXEFY-UHFFFAOYSA-N
XLogP2.65
TPSA102.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-1H-thieno[2,3-d]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-1H-thieno[2,3-d]pyrazole?
The IUPAC name of 5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-1H-thieno[2,3-d]pyrazole (CID 53262676) is 5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-1H-thieno[2,3-d]pyrazole.
What is the SMILES notation for 5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-1H-thieno[2,3-d]pyrazole?
The canonical SMILES for 5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-1H-thieno[2,3-d]pyrazole is CC(C)n1cc(-c2cnc3nnn(Cc4cc5[nH]ncc5s4)c3n2)cn1.
What is the InChIKey of 5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-1H-thieno[2,3-d]pyrazole?
The InChIKey is QZVSBQOMXSXEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N9S/c1-9(2)24-7-10(4-19-24)13-5-17-15-16(20-13)25(23-22-15)8-11-3-12-14(26-11)6-18-21-12/h3-7,9H,8H2,1-2H3,(H,18,21).
What are the key properties of 5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-1H-thieno[2,3-d]pyrazole?
5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-1H-thieno[2,3-d]pyrazole has a molecular weight of 365.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-1H-thieno[2,3-d]pyrazole is sourced from PubChem (CID 53262676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).