2-[2-hydroxy-3-(2-methoxyethylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C11H17N5O3 — CID 115475822

IUPAC2-[2-hydroxy-3-(2-methoxyethylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOCCNCC(O)Cn1nc2cnccn2c1=O
InChIInChI=1S/C11H17N5O3/c1-19-5-3-13-6-9(17)8-16-11(18)15-4-2-12-7-10(15)14-16/h2,4,7,9,13,17H,3,5-6,8H2,1H3
InChIKeyTVIRWLHJKGTVCL-UHFFFAOYSA-N
MW267.29 g/mol
LogP-1.51
Rot. Bonds7

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

2-[2-hydroxy-3-(2-methoxyethylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 115475822) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(2-methoxyethylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[2-hydroxy-3-(2-methoxyethylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID115475822
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name2-[2-hydroxy-3-(2-methoxyethylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOCCNCC(O)Cn1nc2cnccn2c1=O
InChIInChI=1S/C11H17N5O3/c1-19-5-3-13-6-9(17)8-16-11(18)15-4-2-12-7-10(15)14-16/h2,4,7,9,13,17H,3,5-6,8H2,1H3
InChIKeyTVIRWLHJKGTVCL-UHFFFAOYSA-N
XLogP-1.51
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[2-hydroxy-3-(2-methoxyethylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[2-hydroxy-3-(2-methoxyethylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 115475822) is 2-[2-hydroxy-3-(2-methoxyethylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[2-hydroxy-3-(2-methoxyethylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[2-hydroxy-3-(2-methoxyethylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is COCCNCC(O)Cn1nc2cnccn2c1=O.
What is the InChIKey of 2-[2-hydroxy-3-(2-methoxyethylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is TVIRWLHJKGTVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-19-5-3-13-6-9(17)8-16-11(18)15-4-2-12-7-10(15)14-16/h2,4,7,9,13,17H,3,5-6,8H2,1H3.
What are the key properties of 2-[2-hydroxy-3-(2-methoxyethylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[2-hydroxy-3-(2-methoxyethylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 267.29 g/mol, XLogP of -1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(2-methoxyethylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 115475822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).