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

C11H16N4O2 — CID 106802579

IUPAC2-(4-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCC(O)CCCn1nc2cnccn2c1=O
InChIInChI=1S/C11H16N4O2/c1-2-9(16)4-3-6-15-11(17)14-7-5-12-8-10(14)13-15/h5,7-9,16H,2-4,6H2,1H3
InChIKeyGMFBIMCEORUILS-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.44
Rot. Bonds5

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

2-(4-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 106802579) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-(4-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(4-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID106802579
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name2-(4-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCC(O)CCCn1nc2cnccn2c1=O
InChIInChI=1S/C11H16N4O2/c1-2-9(16)4-3-6-15-11(17)14-7-5-12-8-10(14)13-15/h5,7-9,16H,2-4,6H2,1H3
InChIKeyGMFBIMCEORUILS-UHFFFAOYSA-N
XLogP0.44
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(4-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 106802579) is 2-(4-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(4-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(4-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CCC(O)CCCn1nc2cnccn2c1=O.
What is the InChIKey of 2-(4-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is GMFBIMCEORUILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-9(16)4-3-6-15-11(17)14-7-5-12-8-10(14)13-15/h5,7-9,16H,2-4,6H2,1H3.
What are the key properties of 2-(4-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(4-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 236.28 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 106802579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).