3-methyl-2-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]butanoic acid

C11H15N5O2 — CID 65226260

IUPAC3-methyl-2-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]butanoic acid
SMILESCC(C)C(CNc1nccn2cnnc12)C(=O)O
InChIInChI=1S/C11H15N5O2/c1-7(2)8(11(17)18)5-13-9-10-15-14-6-16(10)4-3-12-9/h3-4,6-8H,5H2,1-2H3,(H,12,13)(H,17,18)
InChIKeyMWHIYGZLHIGLME-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.89
Rot. Bonds5

About 3-methyl-2-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]butanoic acid

3-methyl-2-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]butanoic acid (PubChem CID 65226260) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-methyl-2-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]butanoic acid
PubChem CID65226260
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name3-methyl-2-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]butanoic acid
SMILESCC(C)C(CNc1nccn2cnnc12)C(=O)O
InChIInChI=1S/C11H15N5O2/c1-7(2)8(11(17)18)5-13-9-10-15-14-6-16(10)4-3-12-9/h3-4,6-8H,5H2,1-2H3,(H,12,13)(H,17,18)
InChIKeyMWHIYGZLHIGLME-UHFFFAOYSA-N
XLogP0.89
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methyl-2-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]butanoic acid with MolForge

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Related Compounds

2-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butanoic acid
CID 80539535
3-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butan-2-ol
CID 115886194
2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid
CID 65226468
3-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propanoic acid
CID 81077970
3-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]hexan-1-ol
CID 113245597
3-methyl-2-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]butanoic acid
CID 65226703
2-methyl-5-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pentan-1-ol
CID 103858577
1-thiophen-3-yl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethanol
CID 103710821
2-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid
CID 65226552
2,2-difluoro-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propan-1-ol
CID 104858583
N-(3-chloropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 65030166
2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)butanoic acid
CID 104572053

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]butanoic acid?
The IUPAC name of 3-methyl-2-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]butanoic acid (CID 65226260) is 3-methyl-2-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]butanoic acid.
What is the SMILES notation for 3-methyl-2-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]butanoic acid?
The canonical SMILES for 3-methyl-2-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]butanoic acid is CC(C)C(CNc1nccn2cnnc12)C(=O)O.
What is the InChIKey of 3-methyl-2-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]butanoic acid?
The InChIKey is MWHIYGZLHIGLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-7(2)8(11(17)18)5-13-9-10-15-14-6-16(10)4-3-12-9/h3-4,6-8H,5H2,1-2H3,(H,12,13)(H,17,18).
What are the key properties of 3-methyl-2-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]butanoic acid?
3-methyl-2-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]butanoic acid has a molecular weight of 249.27 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]butanoic acid is sourced from PubChem (CID 65226260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).