3-amino-2-(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid

C9H11N5O2 — CID 84787752

IUPAC3-amino-2-(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid
SMILESCc1cnc2nc(C(CN)C(=O)O)nn2c1
InChIInChI=1S/C9H11N5O2/c1-5-3-11-9-12-7(13-14(9)4-5)6(2-10)8(15)16/h3-4,6H,2,10H2,1H3,(H,15,16)
InChIKeyIFIMWXKVFWBOOX-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.44
Rot. Bonds3

About 3-amino-2-(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid

3-amino-2-(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid (PubChem CID 84787752) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-amino-2-(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid
PubChem CID84787752
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name3-amino-2-(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid
SMILESCc1cnc2nc(C(CN)C(=O)O)nn2c1
InChIInChI=1S/C9H11N5O2/c1-5-3-11-9-12-7(13-14(9)4-5)6(2-10)8(15)16/h3-4,6H,2,10H2,1H3,(H,15,16)
InChIKeyIFIMWXKVFWBOOX-UHFFFAOYSA-N
XLogP-0.44
TPSA106.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-2-(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid 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 3-amino-2-(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid?
The IUPAC name of 3-amino-2-(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid (CID 84787752) is 3-amino-2-(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid.
What is the SMILES notation for 3-amino-2-(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid?
The canonical SMILES for 3-amino-2-(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid is Cc1cnc2nc(C(CN)C(=O)O)nn2c1.
What is the InChIKey of 3-amino-2-(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid?
The InChIKey is IFIMWXKVFWBOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-5-3-11-9-12-7(13-14(9)4-5)6(2-10)8(15)16/h3-4,6H,2,10H2,1H3,(H,15,16).
What are the key properties of 3-amino-2-(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid?
3-amino-2-(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid has a molecular weight of 221.22 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid is sourced from PubChem (CID 84787752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).