N-butyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide

C11H19N5O2 — CID 66272347

IUPACN-butyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
SMILESCCCCNC(=O)Cn1nc2n(c1=O)CCNC2
InChIInChI=1S/C11H19N5O2/c1-2-3-4-13-10(17)8-16-11(18)15-6-5-12-7-9(15)14-16/h12H,2-8H2,1H3,(H,13,17)
InChIKeyWGXGXLMHUBIJIB-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.94
Rot. Bonds5

About N-butyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide

N-butyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide (PubChem CID 66272347) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-butyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
PubChem CID66272347
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN-butyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
SMILESCCCCNC(=O)Cn1nc2n(c1=O)CCNC2
InChIInChI=1S/C11H19N5O2/c1-2-3-4-13-10(17)8-16-11(18)15-6-5-12-7-9(15)14-16/h12H,2-8H2,1H3,(H,13,17)
InChIKeyWGXGXLMHUBIJIB-UHFFFAOYSA-N
XLogP-0.94
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide?
The IUPAC name of N-butyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide (CID 66272347) is N-butyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide.
What is the SMILES notation for N-butyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide?
The canonical SMILES for N-butyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide is CCCCNC(=O)Cn1nc2n(c1=O)CCNC2.
What is the InChIKey of N-butyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide?
The InChIKey is WGXGXLMHUBIJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-2-3-4-13-10(17)8-16-11(18)15-6-5-12-7-9(15)14-16/h12H,2-8H2,1H3,(H,13,17).
What are the key properties of N-butyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide?
N-butyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide has a molecular weight of 253.31 g/mol, XLogP of -0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide is sourced from PubChem (CID 66272347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).