propan-2-yl 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetate

C10H12N4O3 — CID 66272175

IUPACpropan-2-yl 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetate
SMILESCC(C)OC(=O)Cn1nc2cnccn2c1=O
InChIInChI=1S/C10H12N4O3/c1-7(2)17-9(15)6-14-10(16)13-4-3-11-5-8(13)12-14/h3-5,7H,6H2,1-2H3
InChIKeyIMEPMFPYHIRWDB-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.16
Rot. Bonds3

About propan-2-yl 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetate

propan-2-yl 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetate (PubChem CID 66272175) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is propan-2-yl 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetate
PubChem CID66272175
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Namepropan-2-yl 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetate
SMILESCC(C)OC(=O)Cn1nc2cnccn2c1=O
InChIInChI=1S/C10H12N4O3/c1-7(2)17-9(15)6-14-10(16)13-4-3-11-5-8(13)12-14/h3-5,7H,6H2,1-2H3
InChIKeyIMEPMFPYHIRWDB-UHFFFAOYSA-N
XLogP-0.16
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetate?
The IUPAC name of propan-2-yl 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetate (CID 66272175) is propan-2-yl 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetate?
The canonical SMILES for propan-2-yl 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetate is CC(C)OC(=O)Cn1nc2cnccn2c1=O.
What is the InChIKey of propan-2-yl 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetate?
The InChIKey is IMEPMFPYHIRWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-7(2)17-9(15)6-14-10(16)13-4-3-11-5-8(13)12-14/h3-5,7H,6H2,1-2H3.
What are the key properties of propan-2-yl 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetate?
propan-2-yl 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetate has a molecular weight of 236.23 g/mol, XLogP of -0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetate is sourced from PubChem (CID 66272175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).