2-methyl-1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]propan-2-ol

C21H20N8O — CID 59341845

IUPAC2-methyl-1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]propan-2-ol
SMILESCC(C)(O)Cn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1
InChIInChI=1S/C21H20N8O/c1-21(2,30)13-28-12-16(9-24-28)18-10-23-19-20(25-18)29(27-26-19)11-14-5-6-17-15(8-14)4-3-7-22-17/h3-10,12,30H,11,13H2,1-2H3
InChIKeyHTPDWACPZMDRRQ-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.45
Rot. Bonds5

About 2-methyl-1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]propan-2-ol

2-methyl-1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]propan-2-ol (PubChem CID 59341845) has the molecular formula C21H20N8O and a molecular weight of 400.45 g/mol. Its IUPAC name is 2-methyl-1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]propan-2-ol
PubChem CID59341845
Molecular FormulaC21H20N8O
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC Name2-methyl-1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]propan-2-ol
SMILESCC(C)(O)Cn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1
InChIInChI=1S/C21H20N8O/c1-21(2,30)13-28-12-16(9-24-28)18-10-23-19-20(25-18)29(27-26-19)11-14-5-6-17-15(8-14)4-3-7-22-17/h3-10,12,30H,11,13H2,1-2H3
InChIKeyHTPDWACPZMDRRQ-UHFFFAOYSA-N
XLogP2.45
TPSA107.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]propan-2-ol (CID 59341845) is 2-methyl-1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]propan-2-ol is CC(C)(O)Cn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1.
What is the InChIKey of 2-methyl-1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]propan-2-ol?
The InChIKey is HTPDWACPZMDRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O/c1-21(2,30)13-28-12-16(9-24-28)18-10-23-19-20(25-18)29(27-26-19)11-14-5-6-17-15(8-14)4-3-7-22-17/h3-10,12,30H,11,13H2,1-2H3.
What are the key properties of 2-methyl-1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]propan-2-ol?
2-methyl-1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]propan-2-ol has a molecular weight of 400.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 59341845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).