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

C18H17N7O — CID 59341800

IUPAC1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)C1
InChIInChI=1S/C18H17N7O/c26-14-5-7-24(11-14)16-9-20-17-18(21-16)25(23-22-17)10-12-3-4-15-13(8-12)2-1-6-19-15/h1-4,6,8-9,14,26H,5,7,10-11H2
InChIKeyDSXKHNQVXUJTRO-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.39
Rot. Bonds3

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

1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol (PubChem CID 59341800) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol
PubChem CID59341800
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)C1
InChIInChI=1S/C18H17N7O/c26-14-5-7-24(11-14)16-9-20-17-18(21-16)25(23-22-17)10-12-3-4-15-13(8-12)2-1-6-19-15/h1-4,6,8-9,14,26H,5,7,10-11H2
InChIKeyDSXKHNQVXUJTRO-UHFFFAOYSA-N
XLogP1.39
TPSA92.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol (CID 59341800) is 1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol is OC1CCN(c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)C1.
What is the InChIKey of 1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol?
The InChIKey is DSXKHNQVXUJTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c26-14-5-7-24(11-14)16-9-20-17-18(21-16)25(23-22-17)10-12-3-4-15-13(8-12)2-1-6-19-15/h1-4,6,8-9,14,26H,5,7,10-11H2.
What are the key properties of 1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol?
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol has a molecular weight of 347.38 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 59341800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).