2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C12H16N4O2 — CID 43165992

IUPAC2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CC(O)CNC2CC2)nc2ccccn12
InChIInChI=1S/C12H16N4O2/c17-10(7-13-9-4-5-9)8-16-12(18)15-6-2-1-3-11(15)14-16/h1-3,6,9-10,13,17H,4-5,7-8H2
InChIKeyYLBBTVOEXRIOIV-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.39
Rot. Bonds5

About 2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 43165992) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID43165992
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CC(O)CNC2CC2)nc2ccccn12
InChIInChI=1S/C12H16N4O2/c17-10(7-13-9-4-5-9)8-16-12(18)15-6-2-1-3-11(15)14-16/h1-3,6,9-10,13,17H,4-5,7-8H2
InChIKeyYLBBTVOEXRIOIV-UHFFFAOYSA-N
XLogP-0.39
TPSA71.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[2-Hydroxy-3-(propan-2-ylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43165993
2-[2-Hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43165994
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-hydroxypropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 43418249
2-[2-[Cyclopropyl(2-hydroxyethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 60774750
2-[3-(Cyclopropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 61387550
2-[3-(2-Methoxyethylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62563518
2-[3-(Cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271324
N-[(2R)-2-hydroxypropyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 83058568

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 43165992) is 2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CC(O)CNC2CC2)nc2ccccn12.
What is the InChIKey of 2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is YLBBTVOEXRIOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c17-10(7-13-9-4-5-9)8-16-12(18)15-6-2-1-3-11(15)14-16/h1-3,6,9-10,13,17H,4-5,7-8H2.
What are the key properties of 2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 248.29 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 43165992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).