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

C11H15N5O3 — CID 142587529

IUPAC3-oxo-5-(pyrrolidine-1-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbaldehyde
SMILESO=CN1Cc2n[nH]c(=O)n2C(C(=O)N2CCCC2)C1
InChIInChI=1S/C11H15N5O3/c17-7-14-5-8(10(18)15-3-1-2-4-15)16-9(6-14)12-13-11(16)19/h7-8H,1-6H2,(H,13,19)
InChIKeyNQQDBQJMBIGHAM-UHFFFAOYSA-N
MW265.27 g/mol
LogP-1.29
Rot. Bonds2

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

3-oxo-5-(pyrrolidine-1-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbaldehyde (PubChem CID 142587529) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 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-carbaldehyde.

Molecular Properties

Compound Name3-oxo-5-(pyrrolidine-1-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbaldehyde
PubChem CID142587529
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name3-oxo-5-(pyrrolidine-1-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbaldehyde
SMILESO=CN1Cc2n[nH]c(=O)n2C(C(=O)N2CCCC2)C1
InChIInChI=1S/C11H15N5O3/c17-7-14-5-8(10(18)15-3-1-2-4-15)16-9(6-14)12-13-11(16)19/h7-8H,1-6H2,(H,13,19)
InChIKeyNQQDBQJMBIGHAM-UHFFFAOYSA-N
XLogP-1.29
TPSA91.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-1.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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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-carbaldehyde?
The IUPAC name of 3-oxo-5-(pyrrolidine-1-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbaldehyde (CID 142587529) is 3-oxo-5-(pyrrolidine-1-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbaldehyde.
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-carbaldehyde?
The canonical SMILES for 3-oxo-5-(pyrrolidine-1-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbaldehyde is O=CN1Cc2n[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-carbaldehyde?
The InChIKey is NQQDBQJMBIGHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c17-7-14-5-8(10(18)15-3-1-2-4-15)16-9(6-14)12-13-11(16)19/h7-8H,1-6H2,(H,13,19).
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-carbaldehyde?
3-oxo-5-(pyrrolidine-1-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbaldehyde has a molecular weight of 265.27 g/mol, XLogP of -1.29, 2 rotatable bonds, 1 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-carbaldehyde is sourced from PubChem (CID 142587529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).