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

C10H14N4O2 — CID 66273054

IUPAC2-(4-hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(O)CCCn1nc2cnccn2c1=O
InChIInChI=1S/C10H14N4O2/c1-8(15)3-2-5-14-10(16)13-6-4-11-7-9(13)12-14/h4,6-8,15H,2-3,5H2,1H3
InChIKeyAGZSEZQMCZKTSA-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.05
Rot. Bonds4

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

2-(4-hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66273054) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-(4-hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(4-hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66273054
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-(4-hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(O)CCCn1nc2cnccn2c1=O
InChIInChI=1S/C10H14N4O2/c1-8(15)3-2-5-14-10(16)13-6-4-11-7-9(13)12-14/h4,6-8,15H,2-3,5H2,1H3
InChIKeyAGZSEZQMCZKTSA-UHFFFAOYSA-N
XLogP0.05
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(4-hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66273054) is 2-(4-hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(4-hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(4-hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CC(O)CCCn1nc2cnccn2c1=O.
What is the InChIKey of 2-(4-hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is AGZSEZQMCZKTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-8(15)3-2-5-14-10(16)13-6-4-11-7-9(13)12-14/h4,6-8,15H,2-3,5H2,1H3.
What are the key properties of 2-(4-hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(4-hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 222.25 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66273054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).