3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridine-4-carboxylic acid

C11H11N5O2 — CID 113269753

IUPAC3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1N1CCn2cnnc2C1
InChIInChI=1S/C11H11N5O2/c17-11(18)8-1-2-12-5-9(8)15-3-4-16-7-13-14-10(16)6-15/h1-2,5,7H,3-4,6H2,(H,17,18)
InChIKeyVSTFJMMEKDZDGA-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.39
Rot. Bonds2

About 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridine-4-carboxylic acid

3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridine-4-carboxylic acid (PubChem CID 113269753) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridine-4-carboxylic acid
PubChem CID113269753
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1N1CCn2cnnc2C1
InChIInChI=1S/C11H11N5O2/c17-11(18)8-1-2-12-5-9(8)15-3-4-16-7-13-14-10(16)6-15/h1-2,5,7H,3-4,6H2,(H,17,18)
InChIKeyVSTFJMMEKDZDGA-UHFFFAOYSA-N
XLogP0.39
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridine-4-carboxylic acid?
The IUPAC name of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridine-4-carboxylic acid (CID 113269753) is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridine-4-carboxylic acid is O=C(O)c1ccncc1N1CCn2cnnc2C1.
What is the InChIKey of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridine-4-carboxylic acid?
The InChIKey is VSTFJMMEKDZDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c17-11(18)8-1-2-12-5-9(8)15-3-4-16-7-13-14-10(16)6-15/h1-2,5,7H,3-4,6H2,(H,17,18).
What are the key properties of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridine-4-carboxylic acid?
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridine-4-carboxylic acid has a molecular weight of 245.24 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 113269753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).