2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

C12H18N4O2 — CID 63071041

IUPAC2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCOC(CN)CCn1nc2ccccn2c1=O
InChIInChI=1S/C12H18N4O2/c1-2-18-10(9-13)6-8-16-12(17)15-7-4-3-5-11(15)14-16/h3-5,7,10H,2,6,8-9,13H2,1H3
InChIKeyKFJCCXUOWXWULW-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.25
Rot. Bonds6

About 2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 63071041) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID63071041
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCOC(CN)CCn1nc2ccccn2c1=O
InChIInChI=1S/C12H18N4O2/c1-2-18-10(9-13)6-8-16-12(17)15-7-4-3-5-11(15)14-16/h3-5,7,10H,2,6,8-9,13H2,1H3
InChIKeyKFJCCXUOWXWULW-UHFFFAOYSA-N
XLogP0.25
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 63071041) is 2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCOC(CN)CCn1nc2ccccn2c1=O.
What is the InChIKey of 2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is KFJCCXUOWXWULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-18-10(9-13)6-8-16-12(17)15-7-4-3-5-11(15)14-16/h3-5,7,10H,2,6,8-9,13H2,1H3.
What are the key properties of 2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 250.30 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-ethoxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 63071041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).