2-[(2R)-2-aminopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C8H11N5O — CID 103934851

IUPAC2-[(2R)-2-aminopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESC[C@@H](N)Cn1nc2cnccn2c1=O
InChIInChI=1S/C8H11N5O/c1-6(9)5-13-8(14)12-3-2-10-4-7(12)11-13/h2-4,6H,5,9H2,1H3/t6-/m1/s1
InChIKeyKDDSEZAOFBYYAC-ZCFIWIBFSA-N
MW193.21 g/mol
LogP-0.76
Rot. Bonds2

About 2-[(2R)-2-aminopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[(2R)-2-aminopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 103934851) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-[(2R)-2-aminopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[(2R)-2-aminopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID103934851
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name2-[(2R)-2-aminopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESC[C@@H](N)Cn1nc2cnccn2c1=O
InChIInChI=1S/C8H11N5O/c1-6(9)5-13-8(14)12-3-2-10-4-7(12)11-13/h2-4,6H,5,9H2,1H3/t6-/m1/s1
InChIKeyKDDSEZAOFBYYAC-ZCFIWIBFSA-N
XLogP-0.76
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2R)-2-aminopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-aminopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[(2R)-2-aminopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 103934851) is 2-[(2R)-2-aminopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[(2R)-2-aminopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[(2R)-2-aminopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is C[C@@H](N)Cn1nc2cnccn2c1=O.
What is the InChIKey of 2-[(2R)-2-aminopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is KDDSEZAOFBYYAC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11N5O/c1-6(9)5-13-8(14)12-3-2-10-4-7(12)11-13/h2-4,6H,5,9H2,1H3/t6-/m1/s1.
What are the key properties of 2-[(2R)-2-aminopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[(2R)-2-aminopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 193.21 g/mol, XLogP of -0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-aminopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 103934851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).