2-amino-3-(3-methoxy-1,2,4-triazin-6-yl)propanoic acid

C7H10N4O3 — CID 83831468

IUPAC2-amino-3-(3-methoxy-1,2,4-triazin-6-yl)propanoic acid
SMILESCOc1ncc(CC(N)C(=O)O)nn1
InChIInChI=1S/C7H10N4O3/c1-14-7-9-3-4(10-11-7)2-5(8)6(12)13/h3,5H,2,8H2,1H3,(H,12,13)
InChIKeyJPMBMXSGOXEBDZ-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.17
Rot. Bonds4

About 2-amino-3-(3-methoxy-1,2,4-triazin-6-yl)propanoic acid

2-amino-3-(3-methoxy-1,2,4-triazin-6-yl)propanoic acid (PubChem CID 83831468) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-amino-3-(3-methoxy-1,2,4-triazin-6-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-methoxy-1,2,4-triazin-6-yl)propanoic acid
PubChem CID83831468
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name2-amino-3-(3-methoxy-1,2,4-triazin-6-yl)propanoic acid
SMILESCOc1ncc(CC(N)C(=O)O)nn1
InChIInChI=1S/C7H10N4O3/c1-14-7-9-3-4(10-11-7)2-5(8)6(12)13/h3,5H,2,8H2,1H3,(H,12,13)
InChIKeyJPMBMXSGOXEBDZ-UHFFFAOYSA-N
XLogP-1.17
TPSA111.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-3-(3-methoxy-1,2,4-triazin-6-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 2-amino-3-(3-methoxy-1,2,4-triazin-6-yl)propanoic acid?
The IUPAC name of 2-amino-3-(3-methoxy-1,2,4-triazin-6-yl)propanoic acid (CID 83831468) is 2-amino-3-(3-methoxy-1,2,4-triazin-6-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-methoxy-1,2,4-triazin-6-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-methoxy-1,2,4-triazin-6-yl)propanoic acid is COc1ncc(CC(N)C(=O)O)nn1.
What is the InChIKey of 2-amino-3-(3-methoxy-1,2,4-triazin-6-yl)propanoic acid?
The InChIKey is JPMBMXSGOXEBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-14-7-9-3-4(10-11-7)2-5(8)6(12)13/h3,5H,2,8H2,1H3,(H,12,13).
What are the key properties of 2-amino-3-(3-methoxy-1,2,4-triazin-6-yl)propanoic acid?
2-amino-3-(3-methoxy-1,2,4-triazin-6-yl)propanoic acid has a molecular weight of 198.18 g/mol, XLogP of -1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-methoxy-1,2,4-triazin-6-yl)propanoic acid is sourced from PubChem (CID 83831468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).