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

C16H14N6O — CID 59341838

IUPAC1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanol
SMILESCC(O)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C16H14N6O/c1-10(23)14-8-18-15-16(19-14)22(21-20-15)9-11-4-5-13-12(7-11)3-2-6-17-13/h2-8,10,23H,9H2,1H3
InChIKeyMGSIPKLHXXHHJV-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.87
Rot. Bonds3

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

1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanol (PubChem CID 59341838) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanol
PubChem CID59341838
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanol
SMILESCC(O)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C16H14N6O/c1-10(23)14-8-18-15-16(19-14)22(21-20-15)9-11-4-5-13-12(7-11)3-2-6-17-13/h2-8,10,23H,9H2,1H3
InChIKeyMGSIPKLHXXHHJV-UHFFFAOYSA-N
XLogP1.87
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanamine
CID 59341949
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]ethylidenehydrazine
CID 78153634
6-[[5-(1H-pyrazol-5-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 24852078
6-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 156790144
6-[[5-(3-methoxyphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 24851840
1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanol
CID 81444006
N-methyl-2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]pyridine-3-carboxamide
CID 148707526
2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1H-pyrazol-5-yl]ethanol
CID 67455909
N-methyl-2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]pyridine-4-carboxamide
CID 153129012
3-amino-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidine-3-carboxamide
CID 59341952
(Z)-N-[(4-methoxyphenyl)methoxy]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine
CID 86652025

Frequently Asked Questions

What is the IUPAC name of 1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanol?
The IUPAC name of 1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanol (CID 59341838) is 1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanol.
What is the SMILES notation for 1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanol?
The canonical SMILES for 1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanol is CC(O)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1.
What is the InChIKey of 1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanol?
The InChIKey is MGSIPKLHXXHHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c1-10(23)14-8-18-15-16(19-14)22(21-20-15)9-11-4-5-13-12(7-11)3-2-6-17-13/h2-8,10,23H,9H2,1H3.
What are the key properties of 1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanol?
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanol has a molecular weight of 306.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanol is sourced from PubChem (CID 59341838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).