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

C11H15N5O2 — CID 79792692

IUPAC2-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butanoic acid
SMILESCCC(C)(Nc1nccn2c(C)nnc12)C(=O)O
InChIInChI=1S/C11H15N5O2/c1-4-11(3,10(17)18)13-8-9-15-14-7(2)16(9)6-5-12-8/h5-6H,4H2,1-3H3,(H,12,13)(H,17,18)
InChIKeyPVWDQRKMBCJHLE-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.10
Rot. Bonds4

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

2-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butanoic acid (PubChem CID 79792692) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butanoic acid
PubChem CID79792692
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name2-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butanoic acid
SMILESCCC(C)(Nc1nccn2c(C)nnc12)C(=O)O
InChIInChI=1S/C11H15N5O2/c1-4-11(3,10(17)18)13-8-9-15-14-7(2)16(9)6-5-12-8/h5-6H,4H2,1-3H3,(H,12,13)(H,17,18)
InChIKeyPVWDQRKMBCJHLE-UHFFFAOYSA-N
XLogP1.10
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butanoic acid?
The IUPAC name of 2-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butanoic acid (CID 79792692) is 2-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butanoic acid is CCC(C)(Nc1nccn2c(C)nnc12)C(=O)O.
What is the InChIKey of 2-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butanoic acid?
The InChIKey is PVWDQRKMBCJHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-4-11(3,10(17)18)13-8-9-15-14-7(2)16(9)6-5-12-8/h5-6H,4H2,1-3H3,(H,12,13)(H,17,18).
What are the key properties of 2-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butanoic acid?
2-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butanoic acid has a molecular weight of 249.27 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butanoic acid is sourced from PubChem (CID 79792692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).