2-(3-amino-2-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C8H11N5O2 — CID 66271326

IUPAC2-(3-amino-2-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESNCC(O)Cn1nc2cnccn2c1=O
InChIInChI=1S/C8H11N5O2/c9-3-6(14)5-13-8(15)12-2-1-10-4-7(12)11-13/h1-2,4,6,14H,3,5,9H2
InChIKeyUVKVIIKWFQSHOG-UHFFFAOYSA-N
MW209.21 g/mol
LogP-1.79
Rot. Bonds3

About 2-(3-amino-2-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-(3-amino-2-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66271326) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-(3-amino-2-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(3-amino-2-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66271326
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name2-(3-amino-2-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESNCC(O)Cn1nc2cnccn2c1=O
InChIInChI=1S/C8H11N5O2/c9-3-6(14)5-13-8(15)12-2-1-10-4-7(12)11-13/h1-2,4,6,14H,3,5,9H2
InChIKeyUVKVIIKWFQSHOG-UHFFFAOYSA-N
XLogP-1.79
TPSA98.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(3-amino-2-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66271326) is 2-(3-amino-2-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(3-amino-2-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(3-amino-2-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is NCC(O)Cn1nc2cnccn2c1=O.
What is the InChIKey of 2-(3-amino-2-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is UVKVIIKWFQSHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c9-3-6(14)5-13-8(15)12-2-1-10-4-7(12)11-13/h1-2,4,6,14H,3,5,9H2.
What are the key properties of 2-(3-amino-2-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(3-amino-2-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 209.21 g/mol, XLogP of -1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66271326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).