2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1H-pyrazol-5-yl]ethanol

C19H16N8O — CID 67455909

IUPAC2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1H-pyrazol-5-yl]ethanol
SMILESOCCc1[nH]ncc1-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C19H16N8O/c28-7-5-16-14(9-22-24-16)17-10-21-18-19(23-17)27(26-25-18)11-12-3-4-15-13(8-12)2-1-6-20-15/h1-4,6,8-10,28H,5,7,11H2,(H,22,24)
InChIKeyVHSUWXDTIOTWNP-UHFFFAOYSA-N
MW372.39 g/mol
LogP1.74
Rot. Bonds5

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

2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1H-pyrazol-5-yl]ethanol (PubChem CID 67455909) has the molecular formula C19H16N8O and a molecular weight of 372.39 g/mol. Its IUPAC name is 2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1H-pyrazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1H-pyrazol-5-yl]ethanol
PubChem CID67455909
Molecular FormulaC19H16N8O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC Name2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1H-pyrazol-5-yl]ethanol
SMILESOCCc1[nH]ncc1-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C19H16N8O/c28-7-5-16-14(9-22-24-16)17-10-21-18-19(23-17)27(26-25-18)11-12-3-4-15-13(8-12)2-1-6-20-15/h1-4,6,8-10,28H,5,7,11H2,(H,22,24)
InChIKeyVHSUWXDTIOTWNP-UHFFFAOYSA-N
XLogP1.74
TPSA118.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1H-pyrazol-5-yl]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

6-[[5-(1H-pyrazol-5-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 24852078
6-[[5-(3-methoxyphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 24851840
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanol
CID 59341838
methanesulfonic acid;2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 24852079
2-methyl-1-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]propan-2-ol
CID 59341867
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanamine
CID 59341949
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylidenehydrazine
CID 78153634
6-[[5-(1H-pyrazol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 53261938
6-[[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 59341868
6-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 156790144
methyl 2-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]oxyacetate
CID 76720043
3-phenyl-6-[(5-phenyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline
CID 86566655

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1H-pyrazol-5-yl]ethanol?
The IUPAC name of 2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1H-pyrazol-5-yl]ethanol (CID 67455909) is 2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1H-pyrazol-5-yl]ethanol.
What is the SMILES notation for 2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1H-pyrazol-5-yl]ethanol?
The canonical SMILES for 2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1H-pyrazol-5-yl]ethanol is OCCc1[nH]ncc1-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1.
What is the InChIKey of 2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1H-pyrazol-5-yl]ethanol?
The InChIKey is VHSUWXDTIOTWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8O/c28-7-5-16-14(9-22-24-16)17-10-21-18-19(23-17)27(26-25-18)11-12-3-4-15-13(8-12)2-1-6-20-15/h1-4,6,8-10,28H,5,7,11H2,(H,22,24).
What are the key properties of 2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1H-pyrazol-5-yl]ethanol?
2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1H-pyrazol-5-yl]ethanol has a molecular weight of 372.39 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1H-pyrazol-5-yl]ethanol is sourced from PubChem (CID 67455909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).