1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxypentan-1-one

C10H16N4O2 — CID 79193296

IUPAC1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxypentan-1-one
SMILESCC(O)CCC(=O)N1CCn2cnnc2C1
InChIInChI=1S/C10H16N4O2/c1-8(15)2-3-10(16)13-4-5-14-7-11-12-9(14)6-13/h7-8,15H,2-6H2,1H3
InChIKeyJAJDGJWAHBTIFQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.22
Rot. Bonds3

About 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxypentan-1-one

1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxypentan-1-one (PubChem CID 79193296) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxypentan-1-one.

Molecular Properties

Compound Name1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxypentan-1-one
PubChem CID79193296
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxypentan-1-one
SMILESCC(O)CCC(=O)N1CCn2cnnc2C1
InChIInChI=1S/C10H16N4O2/c1-8(15)2-3-10(16)13-4-5-14-7-11-12-9(14)6-13/h7-8,15H,2-6H2,1H3
InChIKeyJAJDGJWAHBTIFQ-UHFFFAOYSA-N
XLogP-0.22
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxypentan-1-one?
The IUPAC name of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxypentan-1-one (CID 79193296) is 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxypentan-1-one.
What is the SMILES notation for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxypentan-1-one?
The canonical SMILES for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxypentan-1-one is CC(O)CCC(=O)N1CCn2cnnc2C1.
What is the InChIKey of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxypentan-1-one?
The InChIKey is JAJDGJWAHBTIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-8(15)2-3-10(16)13-4-5-14-7-11-12-9(14)6-13/h7-8,15H,2-6H2,1H3.
What are the key properties of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxypentan-1-one?
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxypentan-1-one has a molecular weight of 224.26 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxypentan-1-one is sourced from PubChem (CID 79193296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).