2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C12H18N4O2 — CID 43165994

IUPAC2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCCNCC(O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C12H18N4O2/c1-2-6-13-8-10(17)9-16-12(18)15-7-4-3-5-11(15)14-16/h3-5,7,10,13,17H,2,6,8-9H2,1H3
InChIKeyZJFWPILETXORSY-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.14
Rot. Bonds6

About 2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 43165994) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID43165994
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCCNCC(O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C12H18N4O2/c1-2-6-13-8-10(17)9-16-12(18)15-7-4-3-5-11(15)14-16/h3-5,7,10,13,17H,2,6,8-9H2,1H3
InChIKeyZJFWPILETXORSY-UHFFFAOYSA-N
XLogP-0.14
TPSA71.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.14
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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Related Compounds

2-methoxy-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide
CID 47069901
1-Ethyl-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 47481211
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103730619
N-(3,3-difluoro-2-hydroxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 103769655
2-(3-fluoro-2-hydroxypropyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 165876463
2-[3-[Bis(2-hydroxyethyl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 176905064
2-(3-Amino-2-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 20114126
2-[3-(Cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43165992
2-[2-Hydroxy-3-(propan-2-ylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43165993
2-[3-(Ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43165995
2-[2-Hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43187973
N-(2-hydroxyethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 43417092

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 43165994) is 2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCCNCC(O)Cn1nc2ccccn2c1=O.
What is the InChIKey of 2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is ZJFWPILETXORSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-6-13-8-10(17)9-16-12(18)15-7-4-3-5-11(15)14-16/h3-5,7,10,13,17H,2,6,8-9H2,1H3.
What are the key properties of 2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 250.30 g/mol, XLogP of -0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 43165994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).