3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazine-5-carboxylic acid

C15H10N6O2 — CID 54775605

IUPAC3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazine-5-carboxylic acid
SMILESO=C(O)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C15H10N6O2/c22-15(23)12-7-17-13-14(18-12)21(20-19-13)8-9-3-4-11-10(6-9)2-1-5-16-11/h1-7H,8H2,(H,22,23)
InChIKeyQAPLSYVCDYUZQZ-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.52
Rot. Bonds3

About 3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazine-5-carboxylic acid

3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazine-5-carboxylic acid (PubChem CID 54775605) has the molecular formula C15H10N6O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is 3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazine-5-carboxylic acid.

Molecular Properties

Compound Name3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazine-5-carboxylic acid
PubChem CID54775605
Molecular FormulaC15H10N6O2
Molecular Weight306.29 g/mol
Exact Mass306.09
IUPAC Name3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazine-5-carboxylic acid
SMILESO=C(O)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C15H10N6O2/c22-15(23)12-7-17-13-14(18-12)21(20-19-13)8-9-3-4-11-10(6-9)2-1-5-16-11/h1-7H,8H2,(H,22,23)
InChIKeyQAPLSYVCDYUZQZ-UHFFFAOYSA-N
XLogP1.52
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazine-5-carboxylic acid?
The IUPAC name of 3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazine-5-carboxylic acid (CID 54775605) is 3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazine-5-carboxylic acid.
What is the SMILES notation for 3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazine-5-carboxylic acid?
The canonical SMILES for 3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazine-5-carboxylic acid is O=C(O)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1.
What is the InChIKey of 3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazine-5-carboxylic acid?
The InChIKey is QAPLSYVCDYUZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6O2/c22-15(23)12-7-17-13-14(18-12)21(20-19-13)8-9-3-4-11-10(6-9)2-1-5-16-11/h1-7H,8H2,(H,22,23).
What are the key properties of 3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazine-5-carboxylic acid?
3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazine-5-carboxylic acid has a molecular weight of 306.29 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazine-5-carboxylic acid is sourced from PubChem (CID 54775605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).