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

C8H9N5O2 — CID 66272194

IUPAC3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanamide
SMILESNC(=O)CCn1nc2cnccn2c1=O
InChIInChI=1S/C8H9N5O2/c9-6(14)1-3-13-8(15)12-4-2-10-5-7(12)11-13/h2,4-5H,1,3H2,(H2,9,14)
InChIKeyHOFYTKLFMZNRPL-UHFFFAOYSA-N
MW207.19 g/mol
LogP-1.23
Rot. Bonds3

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

3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanamide (PubChem CID 66272194) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanamide
PubChem CID66272194
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanamide
SMILESNC(=O)CCn1nc2cnccn2c1=O
InChIInChI=1S/C8H9N5O2/c9-6(14)1-3-13-8(15)12-4-2-10-5-7(12)11-13/h2,4-5H,1,3H2,(H2,9,14)
InChIKeyHOFYTKLFMZNRPL-UHFFFAOYSA-N
XLogP-1.23
TPSA95.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate
CID 66273457
2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66273453
2-(4-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271761
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetic acid
CID 66273458
2-(4-chlorobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272395
2-[(2R)-2-aminopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 103934851
2-(4-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 106802579
2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66273470
2-[2-(2-aminophenoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271314
propan-2-yl 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetate
CID 66272175
2-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 75506584
2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66273030

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanamide?
The IUPAC name of 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanamide (CID 66272194) is 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanamide.
What is the SMILES notation for 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanamide?
The canonical SMILES for 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanamide is NC(=O)CCn1nc2cnccn2c1=O.
What is the InChIKey of 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanamide?
The InChIKey is HOFYTKLFMZNRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c9-6(14)1-3-13-8(15)12-4-2-10-5-7(12)11-13/h2,4-5H,1,3H2,(H2,9,14).
What are the key properties of 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanamide?
3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanamide has a molecular weight of 207.19 g/mol, XLogP of -1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanamide is sourced from PubChem (CID 66272194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).