2-[5-(butylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone

C15H20N4O — CID 162237022

IUPAC2-[5-(butylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone
SMILESCCCCNc1cccc2nc(CC(=O)C3CC3)nn12
InChIInChI=1S/C15H20N4O/c1-2-3-9-16-14-5-4-6-15-17-13(18-19(14)15)10-12(20)11-7-8-11/h4-6,11,16H,2-3,7-10H2,1H3
InChIKeyZWESCDDYUBZOPW-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.46
Rot. Bonds7

About 2-[5-(butylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone

2-[5-(butylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone (PubChem CID 162237022) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[5-(butylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone.

Molecular Properties

Compound Name2-[5-(butylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone
PubChem CID162237022
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[5-(butylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone
SMILESCCCCNc1cccc2nc(CC(=O)C3CC3)nn12
InChIInChI=1S/C15H20N4O/c1-2-3-9-16-14-5-4-6-15-17-13(18-19(14)15)10-12(20)11-7-8-11/h4-6,11,16H,2-3,7-10H2,1H3
InChIKeyZWESCDDYUBZOPW-UHFFFAOYSA-N
XLogP2.46
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[5-(butylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone?
The IUPAC name of 2-[5-(butylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone (CID 162237022) is 2-[5-(butylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone.
What is the SMILES notation for 2-[5-(butylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone?
The canonical SMILES for 2-[5-(butylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone is CCCCNc1cccc2nc(CC(=O)C3CC3)nn12.
What is the InChIKey of 2-[5-(butylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone?
The InChIKey is ZWESCDDYUBZOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-3-9-16-14-5-4-6-15-17-13(18-19(14)15)10-12(20)11-7-8-11/h4-6,11,16H,2-3,7-10H2,1H3.
What are the key properties of 2-[5-(butylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone?
2-[5-(butylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone has a molecular weight of 272.35 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(butylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone is sourced from PubChem (CID 162237022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).