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

C10H13N5O2 — CID 80539535

IUPAC2-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butanoic acid
SMILESCC(CCNc1nccn2cnnc12)C(=O)O
InChIInChI=1S/C10H13N5O2/c1-7(10(16)17)2-3-11-8-9-14-13-6-15(9)5-4-12-8/h4-7H,2-3H2,1H3,(H,11,12)(H,16,17)
InChIKeyQRPIMATZVORMFX-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.65
Rot. Bonds5

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

2-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butanoic acid (PubChem CID 80539535) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butanoic acid.

Molecular Properties

Compound Name2-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butanoic acid
PubChem CID80539535
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name2-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butanoic acid
SMILESCC(CCNc1nccn2cnnc12)C(=O)O
InChIInChI=1S/C10H13N5O2/c1-7(10(16)17)2-3-11-8-9-14-13-6-15(9)5-4-12-8/h4-7H,2-3H2,1H3,(H,11,12)(H,16,17)
InChIKeyQRPIMATZVORMFX-UHFFFAOYSA-N
XLogP0.65
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-2-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]butanoic acid
CID 65226260
2-methyl-5-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pentan-1-ol
CID 103858577
2-methyl-4-[(1-methylimidazol-2-yl)amino]butanoic acid
CID 80539688
3-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propanoic acid
CID 81077970
N-(3-chloropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 65030166
2-methyl-4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanoic acid
CID 104729700
2-methyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid
CID 80539578
3-methyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butan-2-ol
CID 115886194
N-(5-methylsulfanylpentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 104925632
3-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]hexan-1-ol
CID 113245597
N-(4-chlorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 83186917
3-[2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethylsulfanyl]propan-1-ol
CID 103710809

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butanoic acid?
The IUPAC name of 2-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butanoic acid (CID 80539535) is 2-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butanoic acid.
What is the SMILES notation for 2-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butanoic acid?
The canonical SMILES for 2-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butanoic acid is CC(CCNc1nccn2cnnc12)C(=O)O.
What is the InChIKey of 2-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butanoic acid?
The InChIKey is QRPIMATZVORMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-7(10(16)17)2-3-11-8-9-14-13-6-15(9)5-4-12-8/h4-7H,2-3H2,1H3,(H,11,12)(H,16,17).
What are the key properties of 2-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butanoic acid?
2-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butanoic acid has a molecular weight of 235.25 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butanoic acid is sourced from PubChem (CID 80539535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).