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

C9H10N4O3 — CID 66273457

IUPACmethyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate
SMILESCOC(=O)CCn1nc2cnccn2c1=O
InChIInChI=1S/C9H10N4O3/c1-16-8(14)2-4-13-9(15)12-5-3-10-6-7(12)11-13/h3,5-6H,2,4H2,1H3
InChIKeyUCYCEBDIOSJXHU-UHFFFAOYSA-N
MW222.20 g/mol
LogP-0.55
Rot. Bonds3

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

methyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate (PubChem CID 66273457) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is methyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate
PubChem CID66273457
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Namemethyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate
SMILESCOC(=O)CCn1nc2cnccn2c1=O
InChIInChI=1S/C9H10N4O3/c1-16-8(14)2-4-13-9(15)12-5-3-10-6-7(12)11-13/h3,5-6H,2,4H2,1H3
InChIKeyUCYCEBDIOSJXHU-UHFFFAOYSA-N
XLogP-0.55
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanamide
CID 66272194
2-(4-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271761
methyl 2-methyl-4-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)but-2-enoate
CID 77120127
propan-2-yl 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetate
CID 66272175
2-(4-chlorobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272395
methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate
CID 43378341
2-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 75506584
2-[3-(2-methylpropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271539
2-(4-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 106802579
2-[3-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66274308
methyl 5-[(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)methyl]thiophene-2-carboxylate
CID 75506578
2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66273470

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate?
The IUPAC name of methyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate (CID 66273457) is methyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate.
What is the SMILES notation for methyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate?
The canonical SMILES for methyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate is COC(=O)CCn1nc2cnccn2c1=O.
What is the InChIKey of methyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate?
The InChIKey is UCYCEBDIOSJXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c1-16-8(14)2-4-13-9(15)12-5-3-10-6-7(12)11-13/h3,5-6H,2,4H2,1H3.
What are the key properties of methyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate?
methyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate has a molecular weight of 222.20 g/mol, XLogP of -0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate is sourced from PubChem (CID 66273457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).