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

C16H15N7O — CID 59341900

IUPAC2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]ethanol
SMILESOCCNc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C16H15N7O/c24-7-6-18-14-9-19-15-16(20-14)23(22-21-15)10-11-3-4-13-12(8-11)2-1-5-17-13/h1-5,8-9,24H,6-7,10H2,(H,18,20)
InChIKeyHBZSJPZNEMQXCF-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.22
Rot. Bonds5

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

2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]ethanol (PubChem CID 59341900) has the molecular formula C16H15N7O and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]ethanol
PubChem CID59341900
Molecular FormulaC16H15N7O
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]ethanol
SMILESOCCNc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C16H15N7O/c24-7-6-18-14-9-19-15-16(20-14)23(22-21-15)10-11-3-4-13-12(8-11)2-1-5-17-13/h1-5,8-9,24H,6-7,10H2,(H,18,20)
InChIKeyHBZSJPZNEMQXCF-UHFFFAOYSA-N
XLogP1.22
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]ethanol?
The IUPAC name of 2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]ethanol (CID 59341900) is 2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]ethanol.
What is the SMILES notation for 2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]ethanol?
The canonical SMILES for 2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]ethanol is OCCNc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1.
What is the InChIKey of 2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]ethanol?
The InChIKey is HBZSJPZNEMQXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O/c24-7-6-18-14-9-19-15-16(20-14)23(22-21-15)10-11-3-4-13-12(8-11)2-1-5-17-13/h1-5,8-9,24H,6-7,10H2,(H,18,20).
What are the key properties of 2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]ethanol?
2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]ethanol has a molecular weight of 321.34 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]ethanol is sourced from PubChem (CID 59341900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).