ethyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate

C10H12N4O3 — CID 66271537

IUPACethyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate
SMILESCCOC(=O)CCn1nc2cnccn2c1=O
InChIInChI=1S/C10H12N4O3/c1-2-17-9(15)3-5-14-10(16)13-6-4-11-7-8(13)12-14/h4,6-7H,2-3,5H2,1H3
InChIKeyMJGKMNALLLKXMF-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.16
Rot. Bonds4

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

ethyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate (PubChem CID 66271537) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is ethyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate
PubChem CID66271537
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Nameethyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate
SMILESCCOC(=O)CCn1nc2cnccn2c1=O
InChIInChI=1S/C10H12N4O3/c1-2-17-9(15)3-5-14-10(16)13-6-4-11-7-8(13)12-14/h4,6-7H,2-3,5H2,1H3
InChIKeyMJGKMNALLLKXMF-UHFFFAOYSA-N
XLogP-0.16
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
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 ethyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate?
The IUPAC name of ethyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate (CID 66271537) is ethyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate.
What is the SMILES notation for ethyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate?
The canonical SMILES for ethyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate is CCOC(=O)CCn1nc2cnccn2c1=O.
What is the InChIKey of ethyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate?
The InChIKey is MJGKMNALLLKXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-2-17-9(15)3-5-14-10(16)13-6-4-11-7-8(13)12-14/h4,6-7H,2-3,5H2,1H3.
What are the key properties of ethyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate?
ethyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate has a molecular weight of 236.23 g/mol, XLogP of -0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate is sourced from PubChem (CID 66271537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).