2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C8H10N4O — CID 68677405

IUPAC2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(C)n1nc2cnccn2c1=O
InChIInChI=1S/C8H10N4O/c1-6(2)12-8(13)11-4-3-9-5-7(11)10-12/h3-6H,1-2H3
InChIKeyGCPMPVGONLYLQS-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.47
Rot. Bonds1

About 2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 68677405) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID68677405
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(C)n1nc2cnccn2c1=O
InChIInChI=1S/C8H10N4O/c1-6(2)12-8(13)11-4-3-9-5-7(11)10-12/h3-6H,1-2H3
InChIKeyGCPMPVGONLYLQS-UHFFFAOYSA-N
XLogP0.47
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 68677405) is 2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CC(C)n1nc2cnccn2c1=O.
What is the InChIKey of 2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is GCPMPVGONLYLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-6(2)12-8(13)11-4-3-9-5-7(11)10-12/h3-6H,1-2H3.
What are the key properties of 2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 178.19 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 68677405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).