3-oxo-5-(pyrrolidine-1-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid

C11H15N5O4 — CID 155338368

IUPAC3-oxo-5-(pyrrolidine-1-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid
SMILESO=C(O)N1Cc2n[nH]c(=O)n2C(C(=O)N2CCCC2)C1
InChIInChI=1S/C11H15N5O4/c17-9(14-3-1-2-4-14)7-5-15(11(19)20)6-8-12-13-10(18)16(7)8/h7H,1-6H2,(H,13,18)(H,19,20)
InChIKeyWZFPSDBQPBMWIF-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.77
Rot. Bonds1

About 3-oxo-5-(pyrrolidine-1-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid

3-oxo-5-(pyrrolidine-1-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid (PubChem CID 155338368) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is 3-oxo-5-(pyrrolidine-1-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name3-oxo-5-(pyrrolidine-1-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid
PubChem CID155338368
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name3-oxo-5-(pyrrolidine-1-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid
SMILESO=C(O)N1Cc2n[nH]c(=O)n2C(C(=O)N2CCCC2)C1
InChIInChI=1S/C11H15N5O4/c17-9(14-3-1-2-4-14)7-5-15(11(19)20)6-8-12-13-10(18)16(7)8/h7H,1-6H2,(H,13,18)(H,19,20)
InChIKeyWZFPSDBQPBMWIF-UHFFFAOYSA-N
XLogP-0.77
TPSA111.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-5-(pyrrolidine-1-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid?
The IUPAC name of 3-oxo-5-(pyrrolidine-1-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid (CID 155338368) is 3-oxo-5-(pyrrolidine-1-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for 3-oxo-5-(pyrrolidine-1-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid?
The canonical SMILES for 3-oxo-5-(pyrrolidine-1-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid is O=C(O)N1Cc2n[nH]c(=O)n2C(C(=O)N2CCCC2)C1.
What is the InChIKey of 3-oxo-5-(pyrrolidine-1-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid?
The InChIKey is WZFPSDBQPBMWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O4/c17-9(14-3-1-2-4-14)7-5-15(11(19)20)6-8-12-13-10(18)16(7)8/h7H,1-6H2,(H,13,18)(H,19,20).
What are the key properties of 3-oxo-5-(pyrrolidine-1-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid?
3-oxo-5-(pyrrolidine-1-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-5-(pyrrolidine-1-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 155338368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).