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

C9H12N4O3 — CID 103696942

IUPAC2-(2-hydroxy-3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOCC(O)Cn1nc2cnccn2c1=O
InChIInChI=1S/C9H12N4O3/c1-16-6-7(14)5-13-9(15)12-3-2-10-4-8(12)11-13/h2-4,7,14H,5-6H2,1H3
InChIKeyZXYMIIIVQPINPV-UHFFFAOYSA-N
MW224.22 g/mol
LogP-1.10
Rot. Bonds4

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

2-(2-hydroxy-3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 103696942) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-(2-hydroxy-3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxy-3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID103696942
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name2-(2-hydroxy-3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOCC(O)Cn1nc2cnccn2c1=O
InChIInChI=1S/C9H12N4O3/c1-16-6-7(14)5-13-9(15)12-3-2-10-4-8(12)11-13/h2-4,7,14H,5-6H2,1H3
InChIKeyZXYMIIIVQPINPV-UHFFFAOYSA-N
XLogP-1.10
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(2-hydroxy-3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 103696942) is 2-(2-hydroxy-3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(2-hydroxy-3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(2-hydroxy-3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is COCC(O)Cn1nc2cnccn2c1=O.
What is the InChIKey of 2-(2-hydroxy-3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is ZXYMIIIVQPINPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-16-6-7(14)5-13-9(15)12-3-2-10-4-8(12)11-13/h2-4,7,14H,5-6H2,1H3.
What are the key properties of 2-(2-hydroxy-3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(2-hydroxy-3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 224.22 g/mol, XLogP of -1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 103696942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).