2-(5-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C11H16N4O2 — CID 66272413

IUPAC2-(5-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(O)CCCCn1nc2cnccn2c1=O
InChIInChI=1S/C11H16N4O2/c1-9(16)4-2-3-6-15-11(17)14-7-5-12-8-10(14)13-15/h5,7-9,16H,2-4,6H2,1H3
InChIKeyVMMJRCBHNALSFR-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.44
Rot. Bonds5

About 2-(5-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-(5-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66272413) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-(5-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(5-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66272413
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name2-(5-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(O)CCCCn1nc2cnccn2c1=O
InChIInChI=1S/C11H16N4O2/c1-9(16)4-2-3-6-15-11(17)14-7-5-12-8-10(14)13-15/h5,7-9,16H,2-4,6H2,1H3
InChIKeyVMMJRCBHNALSFR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-Hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 61944024
2-(5-Hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271335
2-(2-Hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271553
2-(4-Hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271761
2-(3-Hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272838
2-(4-Hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66273054
2-(2-Hydroxypentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66273055
2-(2-Hydroxy-3-methylpentyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 80448820
2-[(1S,2S)-2-hydroxycyclopentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 102735203
2-(4-Hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 106802579
2-(6-Hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 107705154
2-[(5-Methyloxolan-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 167919807

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(5-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66272413) is 2-(5-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(5-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(5-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CC(O)CCCCn1nc2cnccn2c1=O.
What is the InChIKey of 2-(5-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is VMMJRCBHNALSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-9(16)4-2-3-6-15-11(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-(5-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(5-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-(5-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66272413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).