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

C9H14N4O2 — CID 79193145

IUPAC1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxybutan-1-one
SMILESO=C(CCCO)N1CCn2cnnc2C1
InChIInChI=1S/C9H14N4O2/c14-5-1-2-9(15)12-3-4-13-7-10-11-8(13)6-12/h7,14H,1-6H2
InChIKeyIPLZBDWGGXFQEY-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.61
Rot. Bonds3

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

1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxybutan-1-one (PubChem CID 79193145) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxybutan-1-one.

Molecular Properties

Compound Name1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxybutan-1-one
PubChem CID79193145
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxybutan-1-one
SMILESO=C(CCCO)N1CCn2cnnc2C1
InChIInChI=1S/C9H14N4O2/c14-5-1-2-9(15)12-3-4-13-7-10-11-8(13)6-12/h7,14H,1-6H2
InChIKeyIPLZBDWGGXFQEY-UHFFFAOYSA-N
XLogP-0.61
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.61
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-hydroxybutan-1-one?
The IUPAC name of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxybutan-1-one (CID 79193145) is 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxybutan-1-one.
What is the SMILES notation for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxybutan-1-one?
The canonical SMILES for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxybutan-1-one is O=C(CCCO)N1CCn2cnnc2C1.
What is the InChIKey of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxybutan-1-one?
The InChIKey is IPLZBDWGGXFQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c14-5-1-2-9(15)12-3-4-13-7-10-11-8(13)6-12/h7,14H,1-6H2.
What are the key properties of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxybutan-1-one?
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxybutan-1-one has a molecular weight of 210.24 g/mol, XLogP of -0.61, 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-hydroxybutan-1-one is sourced from PubChem (CID 79193145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).