8-amino-N-butyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide

C14H16N6O2 — CID 11652346

IUPAC8-amino-N-butyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide
SMILESCCCCNC(=O)c1cn2nc(-c3ccco3)nc2c(N)n1
InChIInChI=1S/C14H16N6O2/c1-2-3-6-16-14(21)9-8-20-13(11(15)17-9)18-12(19-20)10-5-4-7-22-10/h4-5,7-8H,2-3,6H2,1H3,(H2,15,17)(H,16,21)
InChIKeyUKAIAEJGYRQOBS-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.50
Rot. Bonds5

About 8-amino-N-butyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide

8-amino-N-butyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 11652346) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 8-amino-N-butyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name8-amino-N-butyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID11652346
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name8-amino-N-butyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide
SMILESCCCCNC(=O)c1cn2nc(-c3ccco3)nc2c(N)n1
InChIInChI=1S/C14H16N6O2/c1-2-3-6-16-14(21)9-8-20-13(11(15)17-9)18-12(19-20)10-5-4-7-22-10/h4-5,7-8H,2-3,6H2,1H3,(H2,15,17)(H,16,21)
InChIKeyUKAIAEJGYRQOBS-UHFFFAOYSA-N
XLogP1.50
TPSA111.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 8-amino-N-butyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of 8-amino-N-butyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide (CID 11652346) is 8-amino-N-butyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for 8-amino-N-butyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for 8-amino-N-butyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide is CCCCNC(=O)c1cn2nc(-c3ccco3)nc2c(N)n1.
What is the InChIKey of 8-amino-N-butyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is UKAIAEJGYRQOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-2-3-6-16-14(21)9-8-20-13(11(15)17-9)18-12(19-20)10-5-4-7-22-10/h4-5,7-8H,2-3,6H2,1H3,(H2,15,17)(H,16,21).
What are the key properties of 8-amino-N-butyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide?
8-amino-N-butyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-butyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 11652346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).